N-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine

C18H31N3 — CID 63623032

IUPACN-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(C)c(CNC(C)C)c(N2CCCC(C)CC2)n1
InChIInChI=1S/C18H31N3/c1-13(2)19-12-17-15(4)11-16(5)20-18(17)21-9-6-7-14(3)8-10-21/h11,13-14,19H,6-10,12H2,1-5H3
InChIKeyPNDXYZTWIQDRJW-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.82
Rot. Bonds4

About N-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 63623032) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID63623032
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(C)c(CNC(C)C)c(N2CCCC(C)CC2)n1
InChIInChI=1S/C18H31N3/c1-13(2)19-12-17-15(4)11-16(5)20-18(17)21-9-6-7-14(3)8-10-21/h11,13-14,19H,6-10,12H2,1-5H3
InChIKeyPNDXYZTWIQDRJW-UHFFFAOYSA-N
XLogP3.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 63623032) is N-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine is Cc1cc(C)c(CNC(C)C)c(N2CCCC(C)CC2)n1.
What is the InChIKey of N-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is PNDXYZTWIQDRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-13(2)19-12-17-15(4)11-16(5)20-18(17)21-9-6-7-14(3)8-10-21/h11,13-14,19H,6-10,12H2,1-5H3.
What are the key properties of N-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 63623032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).