N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine

C148H295N19O4S2 — CID 158347388

IUPACN-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine
SMILESCC(C)CCCC1CCNCC1.CC(C)CCCN1CCCC1.CC(C)CCCN1CCOCC1.CC(C)CCCN1CCSCC1.CC(C)CCCc1ccccc1.CC(C)Cc1ccc(N2CCN(C)CC2)nc1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(CCc2cccs2)CC1.CC(C)N1CCOCC1.CC(C)NC1CCCC1.CC(C)NCC1CCCC1.CC(C)NCC1CCCO1.CC(C)NCCCN1CCCCC1.CC(C)NCCCN1CCOCC1
InChIInChI=1S/C14H23N3.C13H22N2S.C12H18.C11H24N2.C11H23N.C10H22N2O.C10H21NO.C10H21NS.C10H21N.C9H19N.C8H17NO.2C8H17N.C7H15NO.C7H15N/c1-12(2)10-13-4-5-14(15-11-13)17-8-6-16(3)7-9-17;1-12(2)15-9-7-14(8-10-15)6-5-13-4-3-11-16-13;1-11(2)7-6-10-12-8-4-3-5-9-12;1-11(2)12-7-6-10-13-8-4-3-5-9-13;1-10(2)4-3-5-11-6-8-12-9-7-11;1-10(2)11-4-3-5-12-6-8-13-9-7-12;2*1-10(2)4-3-5-11-6-8-12-9-7-11;1-10(2)6-5-9-11-7-3-4-8-11;1-8(2)10-7-9-5-3-4-6-9;1-7(2)9-6-8-4-3-5-10-8;1-8(2)9-6-4-3-5-7-9;1-7(2)9-8-5-3-4-6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h4-5,11-12H,6-10H2,1-3H3;3-4,11-12H,5-10H2,1-2H3;3-5,8-9,11H,6-7,10H2,1-2H3;11-12H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;2*10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyGRXAAXIEWQCGHP-UHFFFAOYSA-N
MW2469.25 g/mol
LogP29.50
Rot. Bonds48

About N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine

N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine (PubChem CID 158347388) has the molecular formula C148H295N19O4S2 and a molecular weight of 2469.25 g/mol. Its IUPAC name is N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine
PubChem CID158347388
Molecular FormulaC148H295N19O4S2
Molecular Weight2469.25 g/mol
Exact Mass2467.29
IUPAC NameN-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine
SMILESCC(C)CCCC1CCNCC1.CC(C)CCCN1CCCC1.CC(C)CCCN1CCOCC1.CC(C)CCCN1CCSCC1.CC(C)CCCc1ccccc1.CC(C)Cc1ccc(N2CCN(C)CC2)nc1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(CCc2cccs2)CC1.CC(C)N1CCOCC1.CC(C)NC1CCCC1.CC(C)NCC1CCCC1.CC(C)NCC1CCCO1.CC(C)NCCCN1CCCCC1.CC(C)NCCCN1CCOCC1
InChIInChI=1S/C14H23N3.C13H22N2S.C12H18.C11H24N2.C11H23N.C10H22N2O.C10H21NO.C10H21NS.C10H21N.C9H19N.C8H17NO.2C8H17N.C7H15NO.C7H15N/c1-12(2)10-13-4-5-14(15-11-13)17-8-6-16(3)7-9-17;1-12(2)15-9-7-14(8-10-15)6-5-13-4-3-11-16-13;1-11(2)7-6-10-12-8-4-3-5-9-12;1-11(2)12-7-6-10-13-8-4-3-5-9-13;1-10(2)4-3-5-11-6-8-12-9-7-11;1-10(2)11-4-3-5-12-6-8-13-9-7-12;2*1-10(2)4-3-5-11-6-8-12-9-7-11;1-10(2)6-5-9-11-7-3-4-8-11;1-8(2)10-7-9-5-3-4-6-9;1-7(2)9-6-8-4-3-5-10-8;1-8(2)9-6-4-3-5-7-9;1-7(2)9-8-5-3-4-6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h4-5,11-12H,6-10H2,1-3H3;3-4,11-12H,5-10H2,1-2H3;3-5,8-9,11H,6-7,10H2,1-2H3;11-12H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;2*10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyGRXAAXIEWQCGHP-UHFFFAOYSA-N
XLogP29.50
TPSA160.87 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds48
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002469.25
LogP ≤ 529.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine with MolForge

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Related Compounds

CID 157391099
CID 157391099
1-cyano-2-ethylguanidine;ethane;N'-ethylethanimidamide;2-ethylguanidine;N-ethyl-N-methylbenzenecarboximidamide;N-ethyl-N-methylcyclopropanecarboximidamide;bis(N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine);N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine;bis(N-ethyl-N-methylethanimidamide);1-ethyl-1-methylguanidine;N-ethyl-N-methylthiophene-2-carboximidamide;4-ethylmorpholine;bis(1-ethylpiperidine);N'-ethylpyridine-4-carboximidamide;1-ethylpyrrolidine;methane;molecular hydrogen
CID 157805259
N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-propan-2-ylaniline;6-(4-methylpiperazin-1-yl)-N-propan-2-ylpyridin-3-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;N-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine;N-(pyrrolidin-2-ylmethyl)propan-2-amine;N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 157955540
N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;6-(4-methylpiperazin-1-yl)-N-propan-2-ylpyridin-3-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;N-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine;N-(pyrrolidin-2-ylmethyl)propan-2-amine;N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 159078006
bis(N-benzyl-2-methylpropan-2-amine);bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;tris(N-(cyclohexylmethyl)-2-methylpropan-2-amine);N-(cyclopentylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-(oxan-2-ylmethyl)propan-2-amine;2-methyl-N-(oxan-3-ylmethyl)propan-2-amine;2-methyl-N-(oxolan-2-ylmethyl)propan-2-amine;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine;2-methyl-N-(piperidin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine;2-methyl-N-(thiolan-2-ylmethyl)propan-2-amine;2-methyl-N-(thiolan-3-ylmethyl)propan-2-amine
CID 159087833
N-(2,2-dimethylpropyl)pyrimidin-2-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-(3-methylbutyl)-4,5-dihydroimidazol-2-amine;N-[(4-methylmorpholin-3-yl)methyl]propan-2-amine;2-(4-methylpentyl)pyrazine;3-(4-methylpentyl)pyridine;4-(4-methylpentyl)pyridine;2-(4-methylpentyl)pyrimidine;2-methyl-N-propan-2-ylpropan-1-amine;4-(2-methylpropyl)oxane;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N-(oxan-2-ylmethyl)propan-2-amine;N-[2-(oxolan-2-yl)ethyl]propan-2-amine;N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-propan-2-ylpropan-2-amine;3-propan-2-ylpyridine;N'-propan-2-yl-N-pyridin-2-ylpropane-1,3-diamine;2-propan-2-ylthiophene;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine
CID 159641246
bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene
CID 160756060
N-tert-butylcyclopentanamine;1-tert-butylpiperidine;N-[(1-butylpiperidin-4-yl)methyl]-2-methylpropan-2-amine;bis(N-(cyclopentylmethyl)-2-methylpropan-2-amine);4,4-dimethylpentylbenzene;3-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine;1-[5-(2,2-dimethylpropyl)-2-pyridinyl]-4-methylpiperazine;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;2-methyl-N-(3-piperidin-1-ylpropyl)propan-2-amine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine
CID 161054355
CID 161249006
CID 161249006
(4R)-3-N,3-N-diethyl-4-N-propan-2-yloxolane-3,4-diamine;N-(2,2-dimethylpropyl)pyrimidin-2-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-(3-methylbutyl)-4,5-dihydroimidazol-2-amine;3-(3-methylbutyl)oxetane;N-[(4-methylmorpholin-3-yl)methyl]propan-2-amine;2-(4-methylpentyl)pyrazine;3-(4-methylpentyl)pyridine;4-(4-methylpentyl)pyridine;2-(4-methylpentyl)pyrimidine;2-methyl-N-propan-2-ylpropan-1-amine;4-(2-methylpropyl)oxane;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N-(oxan-2-ylmethyl)propan-2-amine;N-[2-(oxolan-2-yl)ethyl]propan-2-amine;N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-propan-2-ylpropan-2-amine;3-propan-2-ylpyridine;N'-propan-2-yl-N-pyridin-2-ylpropane-1,3-diamine;2-propan-2-ylthiophene;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine
CID 161812156
N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;4-[4-(2-methylpropyl)phenyl]-1,4-thiazinane 1,1-dioxide;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine
CID 161886339
bis(N-benzyl-2-methylpropan-2-amine);bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butyloxan-2-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;tris(N-(cyclohexylmethyl)-2-methylpropan-2-amine);N-(cyclopentylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-(oxan-2-ylmethyl)propan-2-amine;2-methyl-N-(oxan-3-ylmethyl)propan-2-amine;2-methyl-N-(oxolan-2-ylmethyl)propan-2-amine;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine;2-methyl-N-(piperidin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine;2-methyl-N-(thiolan-2-ylmethyl)propan-2-amine;2-methyl-N-(thiolan-3-ylmethyl)propan-2-amine
CID 162003192

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine?
The IUPAC name of N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine (CID 158347388) is N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine.
What is the SMILES notation for N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine?
The canonical SMILES for N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine is CC(C)CCCC1CCNCC1.CC(C)CCCN1CCCC1.CC(C)CCCN1CCOCC1.CC(C)CCCN1CCSCC1.CC(C)CCCc1ccccc1.CC(C)Cc1ccc(N2CCN(C)CC2)nc1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(CCc2cccs2)CC1.CC(C)N1CCOCC1.CC(C)NC1CCCC1.CC(C)NCC1CCCC1.CC(C)NCC1CCCO1.CC(C)NCCCN1CCCCC1.CC(C)NCCCN1CCOCC1.
What is the InChIKey of N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine?
The InChIKey is GRXAAXIEWQCGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.C13H22N2S.C12H18.C11H24N2.C11H23N.C10H22N2O.C10H21NO.C10H21NS.C10H21N.C9H19N.C8H17NO.2C8H17N.C7H15NO.C7H15N/c1-12(2)10-13-4-5-14(15-11-13)17-8-6-16(3)7-9-17;1-12(2)15-9-7-14(8-10-15)6-5-13-4-3-11-16-13;1-11(2)7-6-10-12-8-4-3-5-9-12;1-11(2)12-7-6-10-13-8-4-3-5-9-13;1-10(2)4-3-5-11-6-8-12-9-7-11;1-10(2)11-4-3-5-12-6-8-13-9-7-12;2*1-10(2)4-3-5-11-6-8-12-9-7-11;1-10(2)6-5-9-11-7-3-4-8-11;1-8(2)10-7-9-5-3-4-6-9;1-7(2)9-6-8-4-3-5-10-8;1-8(2)9-6-4-3-5-7-9;1-7(2)9-8-5-3-4-6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h4-5,11-12H,6-10H2,1-3H3;3-4,11-12H,5-10H2,1-2H3;3-5,8-9,11H,6-7,10H2,1-2H3;11-12H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;2*10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine?
N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine has a molecular weight of 2469.25 g/mol, XLogP of 29.50, 48 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine is sourced from PubChem (CID 158347388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).