1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine

C17H29N3 — CID 60916311

IUPAC1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)Cc2cccnc2)CC1
InChIInChI=1S/C17H29N3/c1-3-5-15-7-9-17(14-18,10-8-15)20(2)13-16-6-4-11-19-12-16/h4,6,11-12,15H,3,5,7-10,13-14,18H2,1-2H3
InChIKeyQGMOQRNMCMGJQR-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.20
Rot. Bonds6

About 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 60916311) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
PubChem CID60916311
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)Cc2cccnc2)CC1
InChIInChI=1S/C17H29N3/c1-3-5-15-7-9-17(14-18,10-8-15)20(2)13-16-6-4-11-19-12-16/h4,6,11-12,15H,3,5,7-10,13-14,18H2,1-2H3
InChIKeyQGMOQRNMCMGJQR-UHFFFAOYSA-N
XLogP3.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65089283
1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 61438543
1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 107428939
1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63473105
3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 81468805
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 63264588
1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine
CID 65091488
2-[methyl(pyridin-3-ylmethyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63068622
1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylcyclohexan-1-amine
CID 62125809
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 64501769

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine (CID 60916311) is 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine is CCCC1CCC(CN)(N(C)Cc2cccnc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is QGMOQRNMCMGJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-5-15-7-9-17(14-18,10-8-15)20(2)13-16-6-4-11-19-12-16/h4,6,11-12,15H,3,5,7-10,13-14,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 60916311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).