1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine

C159H306N14O2 — CID 160593137

IUPAC1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine
SMILESCC(C)C.CC(C)CCN1CCCC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCOCC1.CC(C)CCc1ccccn1.CC(C)CCc1cccnc1.CC(C)CCc1ccncc1.CC(C)NC1CN2CCC1CC2.CC1CCN(C(C)C)CC1.CCC.CCC1CCCC1C(C)C.CCCCC(C)C.CCCCOc1ccc(C(C)C)cc1.CCN1CCC(C(C)C)CC1.CCN1CCCC1CCC(C)C.c1ccncc1
InChIInChI=1S/C13H20O.C11H23N.C10H20N2.3C10H15N.3C10H21N.C10H20.C9H19NO.3C9H19N.C7H16.C5H5N.C4H10.C3H8/c1-4-5-10-14-13-8-6-12(7-9-13)11(2)3;1-4-12-9-5-6-11(12)8-7-10(2)3;1-8(2)11-10-7-12-5-3-9(10)4-6-12;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-6-10-4-3-7-11-8-10;1-9(2)6-7-10-5-3-4-8-11-10;2*1-10(2)6-9-11-7-4-3-5-8-11;1-4-11-7-5-10(6-8-11)9(2)3;1-4-9-6-5-7-10(9)8(2)3;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)10-6-4-9(3)5-7-10;2*1-9(2)5-8-10-6-3-4-7-10;1-4-5-6-7(2)3;1-2-4-6-5-3-1;1-4(2)3;1-3-2/h6-9,11H,4-5,10H2,1-3H3;10-11H,4-9H2,1-3H3;8-11H,3-7H2,1-2H3;5-9H,3-4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;2*10H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;2*9H,3-8H2,1-2H3;7H,4-6H2,1-3H3;1-5H;4H,1-3H3;3H2,1-2H3
InChIKeyRDHAUXYZYUMOER-UHFFFAOYSA-N
MW2446.29 g/mol
LogP41.61
Rot. Bonds43

About 1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine

1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine (PubChem CID 160593137) has the molecular formula C159H306N14O2 and a molecular weight of 2446.29 g/mol. Its IUPAC name is 1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine.

Molecular Properties

Compound Name1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine
PubChem CID160593137
Molecular FormulaC159H306N14O2
Molecular Weight2446.29 g/mol
Exact Mass2444.43
IUPAC Name1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine
SMILESCC(C)C.CC(C)CCN1CCCC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCOCC1.CC(C)CCc1ccccn1.CC(C)CCc1cccnc1.CC(C)CCc1ccncc1.CC(C)NC1CN2CCC1CC2.CC1CCN(C(C)C)CC1.CCC.CCC1CCCC1C(C)C.CCCCC(C)C.CCCCOc1ccc(C(C)C)cc1.CCN1CCC(C(C)C)CC1.CCN1CCCC1CCC(C)C.c1ccncc1
InChIInChI=1S/C13H20O.C11H23N.C10H20N2.3C10H15N.3C10H21N.C10H20.C9H19NO.3C9H19N.C7H16.C5H5N.C4H10.C3H8/c1-4-5-10-14-13-8-6-12(7-9-13)11(2)3;1-4-12-9-5-6-11(12)8-7-10(2)3;1-8(2)11-10-7-12-5-3-9(10)4-6-12;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-6-10-4-3-7-11-8-10;1-9(2)6-7-10-5-3-4-8-11-10;2*1-10(2)6-9-11-7-4-3-5-8-11;1-4-11-7-5-10(6-8-11)9(2)3;1-4-9-6-5-7-10(9)8(2)3;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)10-6-4-9(3)5-7-10;2*1-9(2)5-8-10-6-3-4-7-10;1-4-5-6-7(2)3;1-2-4-6-5-3-1;1-4(2)3;1-3-2/h6-9,11H,4-5,10H2,1-3H3;10-11H,4-9H2,1-3H3;8-11H,3-7H2,1-2H3;5-9H,3-4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;2*10H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;2*9H,3-8H2,1-2H3;7H,4-6H2,1-3H3;1-5H;4H,1-3H3;3H2,1-2H3
InChIKeyRDHAUXYZYUMOER-UHFFFAOYSA-N
XLogP41.61
TPSA111.21 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds43
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002446.29
LogP ≤ 541.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine with MolForge

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Related Compounds

2-[Bis[4-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methoxy]phenyl]methyl]pyridine
CID 172462787
2-[bis[4-[[1-[[(2R)-pyrrolidin-2-yl]methyl]triazol-4-yl]methoxy]phenyl]methyl]pyridine
CID 172463627
1,1'-(5-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}-1,3-phenylene)bis[N,N-bis(pyridin-2-ylmethyl)methanamine]
CID 25126081
3-(4-Tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 159171472
4-[4-(2-Piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine
CID 72700752
LZn,HHT-tris{(R)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-[4-methoxyphenyl]ethyl)methanimine}dizinc(II) tetrakis(perchlorate)
CID 75731936
DFe,HHT-tris{(S)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-phenylethyl)methanimine}diiron(II) tetrachloride
CID 75731941
DFe,HHT-tris{(S)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-[4-methoxyphenyl]ethyl)methanimine}diiron(II) tetrachloride
CID 75731949
LFe,HHT-tris{(R)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-[4-methoxyphenyl]ethyl)methanimine}diiron(II) tetrachloride
CID 75731953
LFe,HHT-tris{(R)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-phenylethyl)methanimine}diiron(II) tetrachloride
CID 75731954
4'-(4-Butoxyphenyl)-4,2';6',4''-terpyridine
CID 139195352
4-[2-[4-(2,6-Dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine
CID 139239396

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine?
The IUPAC name of 1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine (CID 160593137) is 1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine.
What is the SMILES notation for 1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine?
The canonical SMILES for 1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine is CC(C)C.CC(C)CCN1CCCC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCOCC1.CC(C)CCc1ccccn1.CC(C)CCc1cccnc1.CC(C)CCc1ccncc1.CC(C)NC1CN2CCC1CC2.CC1CCN(C(C)C)CC1.CCC.CCC1CCCC1C(C)C.CCCCC(C)C.CCCCOc1ccc(C(C)C)cc1.CCN1CCC(C(C)C)CC1.CCN1CCCC1CCC(C)C.c1ccncc1.
What is the InChIKey of 1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine?
The InChIKey is RDHAUXYZYUMOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.C11H23N.C10H20N2.3C10H15N.3C10H21N.C10H20.C9H19NO.3C9H19N.C7H16.C5H5N.C4H10.C3H8/c1-4-5-10-14-13-8-6-12(7-9-13)11(2)3;1-4-12-9-5-6-11(12)8-7-10(2)3;1-8(2)11-10-7-12-5-3-9(10)4-6-12;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-6-10-4-3-7-11-8-10;1-9(2)6-7-10-5-3-4-8-11-10;2*1-10(2)6-9-11-7-4-3-5-8-11;1-4-11-7-5-10(6-8-11)9(2)3;1-4-9-6-5-7-10(9)8(2)3;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)10-6-4-9(3)5-7-10;2*1-9(2)5-8-10-6-3-4-7-10;1-4-5-6-7(2)3;1-2-4-6-5-3-1;1-4(2)3;1-3-2/h6-9,11H,4-5,10H2,1-3H3;10-11H,4-9H2,1-3H3;8-11H,3-7H2,1-2H3;5-9H,3-4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;2*10H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;2*9H,3-8H2,1-2H3;7H,4-6H2,1-3H3;1-5H;4H,1-3H3;3H2,1-2H3.
What are the key properties of 1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine?
1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine has a molecular weight of 2446.29 g/mol, XLogP of 41.61, 43 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-propan-2-ylbenzene;1-ethyl-2-(3-methylbutyl)pyrrolidine;1-ethyl-2-propan-2-ylcyclopentane;1-ethyl-4-propan-2-ylpiperidine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperidine);2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;bis(1-(3-methylbutyl)pyrrolidine);2-methylhexane;2-methylpropane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;pyridine is sourced from PubChem (CID 160593137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).