[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine

C14H25N3 — CID 81010089

IUPAC[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine
SMILESCCn1ccnc1CC1CC(C)CCC1CN
InChIInChI=1S/C14H25N3/c1-3-17-7-6-16-14(17)9-13-8-11(2)4-5-12(13)10-15/h6-7,11-13H,3-5,8-10,15H2,1-2H3
InChIKeyFEJJNHYCZCIGPB-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.46
Rot. Bonds4

About [2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine

[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine (PubChem CID 81010089) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is [2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine
PubChem CID81010089
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine
SMILESCCn1ccnc1CC1CC(C)CCC1CN
InChIInChI=1S/C14H25N3/c1-3-17-7-6-16-14(17)9-13-8-11(2)4-5-12(13)10-15/h6-7,11-13H,3-5,8-10,15H2,1-2H3
InChIKeyFEJJNHYCZCIGPB-UHFFFAOYSA-N
XLogP2.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine (CID 81010089) is [2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine is CCn1ccnc1CC1CC(C)CCC1CN.
What is the InChIKey of [2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine?
The InChIKey is FEJJNHYCZCIGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-17-7-6-16-14(17)9-13-8-11(2)4-5-12(13)10-15/h6-7,11-13H,3-5,8-10,15H2,1-2H3.
What are the key properties of [2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine?
[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine has a molecular weight of 235.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81010089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).