1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine

C153H299N15O5 — CID 157303597

IUPAC1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine
SMILESCC(=O)CCCC(C)C.CC(C)C1CCC(N2CCCC2)CC1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)CC(=O)N(C)C.CC(C)CC(=O)N1CCN(C)CC1.CC(C)CCCN(C)C.CC(C)CCN(C)C.CC(C)CCN1CCCC1.CC(C)CCN1CCCC1=O.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCc1ccccn1.CC(C)CCc1ccncc1.CC(C)Cc1ccccc1.CC(C)Cc1ccco1.CCCCC(C)C
InChIInChI=1S/C13H25N.C10H20N2O.C10H22N2.2C10H15N.C10H21N.C10H14.C9H17NO.2C9H19N.C8H17N.C8H19N.C8H12O.C8H16O.C7H15NO.C7H17N.C7H16/c1-11(2)12-5-7-13(8-6-12)14-9-3-4-10-14;1-9(2)8-10(13)12-6-4-11(3)5-7-12;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)6-7-10-5-3-4-8-11-10;1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)5-7-10-6-3-4-9(10)11;1-8(2)9-4-6-10(3)7-5-9;1-9(2)5-8-10-6-3-4-7-10;1-7(2)8-4-5-9(3)6-8;1-8(2)6-5-7-9(3)4;1-7(2)6-8-4-3-5-9-8;1-7(2)5-4-6-8(3)9;1-6(2)5-7(9)8(3)4;1-7(2)5-6-8(3)4;1-4-5-6-7(2)3/h11-13H,3-10H2,1-2H3;9H,4-8H2,1-3H3;10H,4-9H2,1-3H3;5-9H,3-4H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;10H,3-9H2,1-2H3;3-7,9H,8H2,1-2H3;8H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;7-8H,4-6H2,1-3H3;8H,5-7H2,1-4H3;3-5,7H,6H2,1-2H3;7H,4-6H2,1-3H3;6H,5H2,1-4H3;7H,5-6H2,1-4H3;7H,4-6H2,1-3H3
InChIKeyBCENKVBRPVYKPR-UHFFFAOYSA-N
MW2429.17 g/mol
LogP35.90
Rot. Bonds44

About 1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine

1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine (PubChem CID 157303597) has the molecular formula C153H299N15O5 and a molecular weight of 2429.17 g/mol. Its IUPAC name is 1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine
PubChem CID157303597
Molecular FormulaC153H299N15O5
Molecular Weight2429.17 g/mol
Exact Mass2427.36
IUPAC Name1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine
SMILESCC(=O)CCCC(C)C.CC(C)C1CCC(N2CCCC2)CC1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)CC(=O)N(C)C.CC(C)CC(=O)N1CCN(C)CC1.CC(C)CCCN(C)C.CC(C)CCN(C)C.CC(C)CCN1CCCC1.CC(C)CCN1CCCC1=O.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCc1ccccn1.CC(C)CCc1ccncc1.CC(C)Cc1ccccc1.CC(C)Cc1ccco1.CCCCC(C)C
InChIInChI=1S/C13H25N.C10H20N2O.C10H22N2.2C10H15N.C10H21N.C10H14.C9H17NO.2C9H19N.C8H17N.C8H19N.C8H12O.C8H16O.C7H15NO.C7H17N.C7H16/c1-11(2)12-5-7-13(8-6-12)14-9-3-4-10-14;1-9(2)8-10(13)12-6-4-11(3)5-7-12;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)6-7-10-5-3-4-8-11-10;1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)5-7-10-6-3-4-9(10)11;1-8(2)9-4-6-10(3)7-5-9;1-9(2)5-8-10-6-3-4-7-10;1-7(2)8-4-5-9(3)6-8;1-8(2)6-5-7-9(3)4;1-7(2)6-8-4-3-5-9-8;1-7(2)5-4-6-8(3)9;1-6(2)5-7(9)8(3)4;1-7(2)5-6-8(3)4;1-4-5-6-7(2)3/h11-13H,3-10H2,1-2H3;9H,4-8H2,1-3H3;10H,4-9H2,1-3H3;5-9H,3-4H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;10H,3-9H2,1-2H3;3-7,9H,8H2,1-2H3;8H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;7-8H,4-6H2,1-3H3;8H,5-7H2,1-4H3;3-5,7H,6H2,1-2H3;7H,4-6H2,1-3H3;6H,5H2,1-4H3;7H,5-6H2,1-4H3;7H,4-6H2,1-3H3
InChIKeyBCENKVBRPVYKPR-UHFFFAOYSA-N
XLogP35.90
TPSA149.32 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds44
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002429.17
LogP ≤ 535.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine with MolForge

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Related Compounds

2,5-Dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(5-methyl-2-pyridinyl)pyridine;3-methyl-5-(5-methyl-2-pyridinyl)pyridine;4-methyl-2-(5-methyl-2-pyridinyl)pyridine
CID 157386576
2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-N-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]prop-2-en-1-imine;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;4-methyl-3-(4-methyl-3-pyridinyl)pyridine
CID 157873691
1-(3-Benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one
CID 158058119
2,5-Dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine
CID 158490544
2,5-Dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(2-methyl-4-pyridinyl)pyridine;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine;4-methyl-3-(4-methyl-3-pyridinyl)pyridine
CID 159583475
2,5-dimethylfuran;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-N-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]prop-2-en-1-imine;2-methyl-4-(2-methyl-4-pyridinyl)pyridine;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;4-methyl-3-(4-methyl-3-pyridinyl)pyridine
CID 160268816
1-(3-Benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one
CID 161902441
Bis[4'-(furan-2-yl)-2,2':6',2''-terpyridine]nickel(II) dichloride decahydrate
CID 139088388
5-[2-[2-dibenzofuran-4-yl-4-[5-[3-dibenzofuran-4-yl-4-[2-[3-[(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)-methylcarbamoyl]-5-[(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-6-id-1-yl)-methylcarbamoyl]phenyl]phenyl]benzene-6-id-1-yl]pyrazin-2-yl]benzene-5-id-1-yl]phenyl]-1-N,3-N-bis(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;bis(iridium(3+))
CID 141693401
[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-[1]benzofuro[3,2-c]pyridin-3-id-4-yl)-3-pyridinyl]-trimethylsilane;bis([6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane);pentakis(iridium);tetrakis(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]silane
CID 157058468
tris(4-(2-deuteriopropan-2-yl)-2-phenyl-5-(trideuteriomethyl)pyridine);tris(iridium);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 157060140
tris(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;tris(8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide)
CID 157069871

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine?
The IUPAC name of 1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine (CID 157303597) is 1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine is CC(=O)CCCC(C)C.CC(C)C1CCC(N2CCCC2)CC1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)CC(=O)N(C)C.CC(C)CC(=O)N1CCN(C)CC1.CC(C)CCCN(C)C.CC(C)CCN(C)C.CC(C)CCN1CCCC1.CC(C)CCN1CCCC1=O.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCc1ccccn1.CC(C)CCc1ccncc1.CC(C)Cc1ccccc1.CC(C)Cc1ccco1.CCCCC(C)C.
What is the InChIKey of 1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine?
The InChIKey is BCENKVBRPVYKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C10H20N2O.C10H22N2.2C10H15N.C10H21N.C10H14.C9H17NO.2C9H19N.C8H17N.C8H19N.C8H12O.C8H16O.C7H15NO.C7H17N.C7H16/c1-11(2)12-5-7-13(8-6-12)14-9-3-4-10-14;1-9(2)8-10(13)12-6-4-11(3)5-7-12;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)6-7-10-5-3-4-8-11-10;1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)5-7-10-6-3-4-9(10)11;1-8(2)9-4-6-10(3)7-5-9;1-9(2)5-8-10-6-3-4-7-10;1-7(2)8-4-5-9(3)6-8;1-8(2)6-5-7-9(3)4;1-7(2)6-8-4-3-5-9-8;1-7(2)5-4-6-8(3)9;1-6(2)5-7(9)8(3)4;1-7(2)5-6-8(3)4;1-4-5-6-7(2)3/h11-13H,3-10H2,1-2H3;9H,4-8H2,1-3H3;10H,4-9H2,1-3H3;5-9H,3-4H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;10H,3-9H2,1-2H3;3-7,9H,8H2,1-2H3;8H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;7-8H,4-6H2,1-3H3;8H,5-7H2,1-4H3;3-5,7H,6H2,1-2H3;7H,4-6H2,1-3H3;6H,5H2,1-4H3;7H,5-6H2,1-4H3;7H,4-6H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine?
1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine has a molecular weight of 2429.17 g/mol, XLogP of 35.90, 44 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine is sourced from PubChem (CID 157303597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).