1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine

C18H31N3 — CID 79262677

IUPAC1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCN(Cc1cccc(C)n1)C1(CN)CCC(C)CC1
InChIInChI=1S/C18H31N3/c1-4-12-21(13-17-7-5-6-16(3)20-17)18(14-19)10-8-15(2)9-11-18/h5-7,15H,4,8-14,19H2,1-3H3
InChIKeyGUZMAIXADIYFHK-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.51
Rot. Bonds6

About 1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine

1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 79262677) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine
PubChem CID79262677
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCN(Cc1cccc(C)n1)C1(CN)CCC(C)CC1
InChIInChI=1S/C18H31N3/c1-4-12-21(13-17-7-5-6-16(3)20-17)18(14-19)10-8-15(2)9-11-18/h5-7,15H,4,8-14,19H2,1-3H3
InChIKeyGUZMAIXADIYFHK-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine (CID 79262677) is 1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine is CCCN(Cc1cccc(C)n1)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is GUZMAIXADIYFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-12-21(13-17-7-5-6-16(3)20-17)18(14-19)10-8-15(2)9-11-18/h5-7,15H,4,8-14,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine?
1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79262677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).