N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine

C15H24N2 — CID 63265124

IUPACN-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine
SMILESCC1CCCCC1CNCCc1cccnc1
InChIInChI=1S/C15H24N2/c1-13-5-2-3-7-15(13)12-17-10-8-14-6-4-9-16-11-14/h4,6,9,11,13,15,17H,2-3,5,7-8,10,12H2,1H3
InChIKeyAJCIPSXPEZSDCW-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.04
Rot. Bonds5

About N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine

N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine (PubChem CID 63265124) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine
PubChem CID63265124
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine
SMILESCC1CCCCC1CNCCc1cccnc1
InChIInChI=1S/C15H24N2/c1-13-5-2-3-7-15(13)12-17-10-8-14-6-4-9-16-11-14/h4,6,9,11,13,15,17H,2-3,5,7-8,10,12H2,1H3
InChIKeyAJCIPSXPEZSDCW-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637852
N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 104737396
N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine
CID 63823125
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-pyridin-3-ylethanamine
CID 66419486
2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 60894469
4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol
CID 65118345
2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 103777301
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800466
2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817875
N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine
CID 115238152

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine (CID 63265124) is N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine is CC1CCCCC1CNCCc1cccnc1.
What is the InChIKey of N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine?
The InChIKey is AJCIPSXPEZSDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-5-2-3-7-15(13)12-17-10-8-14-6-4-9-16-11-14/h4,6,9,11,13,15,17H,2-3,5,7-8,10,12H2,1H3.
What are the key properties of N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine?
N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine has a molecular weight of 232.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 63265124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).