1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine

C18H31N3 — CID 107428939

IUPAC1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(CN)(N(C)Cc2cccnc2)C1
InChIInChI=1S/C18H31N3/c1-15(2)10-16-6-4-8-18(11-16,14-19)21(3)13-17-7-5-9-20-12-17/h5,7,9,12,15-16H,4,6,8,10-11,13-14,19H2,1-3H3
InChIKeyJROUEHMFGDXPKD-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.45
Rot. Bonds6

About 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 107428939) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
PubChem CID107428939
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(CN)(N(C)Cc2cccnc2)C1
InChIInChI=1S/C18H31N3/c1-15(2)10-16-6-4-8-18(11-16,14-19)21(3)13-17-7-5-9-20-12-17/h5,7,9,12,15-16H,4,6,8,10-11,13-14,19H2,1-3H3
InChIKeyJROUEHMFGDXPKD-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 60916311
1-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine
CID 43564069
1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine
CID 43176319
3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 81468805
1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 107429103
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448986
1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65089283
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448937
1-(aminomethyl)-N-ethyl-N,3-bis(2-methylpropyl)cyclohexan-1-amine
CID 107428924
1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551039
1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 106872249
1-(aminomethyl)-N,4-dimethyl-N-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 65084665

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine (CID 107428939) is 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine is CC(C)CC1CCCC(CN)(N(C)Cc2cccnc2)C1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is JROUEHMFGDXPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15(2)10-16-6-4-8-18(11-16,14-19)21(3)13-17-7-5-9-20-12-17/h5,7,9,12,15-16H,4,6,8,10-11,13-14,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.45, 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-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 107428939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).