N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine

C16H26N2 — CID 64731500

IUPACN-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)C1CC(C)CC(C)C1
InChIInChI=1S/C16H26N2/c1-4-18-16(14-6-5-7-17-11-14)15-9-12(2)8-13(3)10-15/h5-7,11-13,15-16,18H,4,8-10H2,1-3H3
InChIKeyUKYKJTXVPTYYEH-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.80
Rot. Bonds4

About N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine

N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 64731500) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
PubChem CID64731500
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)C1CC(C)CC(C)C1
InChIInChI=1S/C16H26N2/c1-4-18-16(14-6-5-7-17-11-14)15-9-12(2)8-13(3)10-15/h5-7,11-13,15-16,18H,4,8-10H2,1-3H3
InChIKeyUKYKJTXVPTYYEH-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine 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-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799190
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
N-[(3,5-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64728497
N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923487
N-[(3-methylcyclopentyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65413186
N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 65392039
N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine
CID 115798984
N-[(3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 64730507
N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105154308
N-[6-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799612
N-[(3,5-dimethylcyclohexyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755408
N-[(3,5-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195899

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine (CID 64731500) is N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)C1CC(C)CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is UKYKJTXVPTYYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-18-16(14-6-5-7-17-11-14)15-9-12(2)8-13(3)10-15/h5-7,11-13,15-16,18H,4,8-10H2,1-3H3.
What are the key properties of N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine?
N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 64731500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).