N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine

C16H26N2 — CID 115375664

IUPACN-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1cncc(C)c1
InChIInChI=1S/C16H26N2/c1-3-8-17-11-14-6-4-5-7-16(14)15-9-13(2)10-18-12-15/h9-10,12,14,16-17H,3-8,11H2,1-2H3
InChIKeyAGGRQPAFGMPGPU-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.66
Rot. Bonds5

About N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine

N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 115375664) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine
PubChem CID115375664
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1cncc(C)c1
InChIInChI=1S/C16H26N2/c1-3-8-17-11-14-6-4-5-7-16(14)15-9-13(2)10-18-12-15/h9-10,12,14,16-17H,3-8,11H2,1-2H3
InChIKeyAGGRQPAFGMPGPU-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
CID 81026587
2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine
CID 115375678
N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]cyclopropanamine
CID 115375676
N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine
CID 81027499
N-[[4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375685
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-1-amine
CID 81034471
N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375702
N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine
CID 81033025
N-ethyl-2-(5-methyl-3-pyridinyl)cyclopentan-1-amine
CID 115375195
N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024271

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine (CID 115375664) is N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCCCC1c1cncc(C)c1.
What is the InChIKey of N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is AGGRQPAFGMPGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-8-17-11-14-6-4-5-7-16(14)15-9-13(2)10-18-12-15/h9-10,12,14,16-17H,3-8,11H2,1-2H3.
What are the key properties of N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine?
N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 115375664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).