[2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine

C16H26N2 — CID 81011185

IUPAC[2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine
SMILESCCc1ccc(CC2CC(C)CCC2CN)nc1
InChIInChI=1S/C16H26N2/c1-3-13-5-7-16(18-11-13)9-15-8-12(2)4-6-14(15)10-17/h5,7,11-12,14-15H,3-4,6,8-10,17H2,1-2H3
InChIKeyRUKQZXAESVAACY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds4

About [2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine

[2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine (PubChem CID 81011185) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine
PubChem CID81011185
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine
SMILESCCc1ccc(CC2CC(C)CCC2CN)nc1
InChIInChI=1S/C16H26N2/c1-3-13-5-7-16(18-11-13)9-15-8-12(2)4-6-14(15)10-17/h5,7,11-12,14-15H,3-4,6,8-10,17H2,1-2H3
InChIKeyRUKQZXAESVAACY-UHFFFAOYSA-N
XLogP3.20
TPSA38.91 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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-ethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
CID 79737999
[2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010415
[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010305
[2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233105
[2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine
CID 104813760
1-[(5-ethyl-2-pyridinyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79746172
[2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81011678
[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 81010967
1-[(5-ethyl-2-pyridinyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 79745148
[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009868
[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010735
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364

Frequently Asked Questions

What is the IUPAC name of [2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine (CID 81011185) is [2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine is CCc1ccc(CC2CC(C)CCC2CN)nc1.
What is the InChIKey of [2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine?
The InChIKey is RUKQZXAESVAACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-13-5-7-16(18-11-13)9-15-8-12(2)4-6-14(15)10-17/h5,7,11-12,14-15H,3-4,6,8-10,17H2,1-2H3.
What are the key properties of [2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine?
[2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81011185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).