2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine

C14H25N3 — CID 66135055

IUPAC2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
SMILESCCn1cncc1CNCCC1CCCCC1
InChIInChI=1S/C14H25N3/c1-2-17-12-16-11-14(17)10-15-9-8-13-6-4-3-5-7-13/h11-13,15H,2-10H2,1H3
InChIKeyXVLMJKYLKYKEAC-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.96
Rot. Bonds6

About 2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine

2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine (PubChem CID 66135055) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
PubChem CID66135055
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
SMILESCCn1cncc1CNCCC1CCCCC1
InChIInChI=1S/C14H25N3/c1-2-17-12-16-11-14(17)10-15-9-8-13-6-4-3-5-7-13/h11-13,15H,2-10H2,1H3
InChIKeyXVLMJKYLKYKEAC-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine
CID 106008076
2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 66118770
3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 106123181
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66133237
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064443
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440
N-[(3-ethylimidazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516463
N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 66135493
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 66133644
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 66133411
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147974
N-[(3-ethylimidazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83007196

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine (CID 66135055) is 2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine is CCn1cncc1CNCCC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine?
The InChIKey is XVLMJKYLKYKEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-17-12-16-11-14(17)10-15-9-8-13-6-4-3-5-7-13/h11-13,15H,2-10H2,1H3.
What are the key properties of 2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine?
2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 66135055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).