[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methanamine

C15H27N3 — CID 81012134

IUPAC[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCCn1ccnc1C1CC(C(C)C)CCC1CN
InChIInChI=1S/C15H27N3/c1-4-18-8-7-17-15(18)14-9-12(11(2)3)5-6-13(14)10-16/h7-8,11-14H,4-6,9-10,16H2,1-3H3
InChIKeyWCAADXMHNFCKAL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.02
Rot. Bonds4

About [2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methanamine

[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 81012134) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is [2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID81012134
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCCn1ccnc1C1CC(C(C)C)CCC1CN
InChIInChI=1S/C15H27N3/c1-4-18-8-7-17-15(18)14-9-12(11(2)3)5-6-13(14)10-16/h7-8,11-14H,4-6,9-10,16H2,1-3H3
InChIKeyWCAADXMHNFCKAL-UHFFFAOYSA-N
XLogP3.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.02
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)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methanamine (CID 81012134) is [2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methanamine is CCn1ccnc1C1CC(C(C)C)CCC1CN.
What is the InChIKey of [2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is WCAADXMHNFCKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-18-8-7-17-15(18)14-9-12(11(2)3)5-6-13(14)10-16/h7-8,11-14H,4-6,9-10,16H2,1-3H3.
What are the key properties of [2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methanamine?
[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 249.40 g/mol, XLogP of 3.02, 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)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 81012134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).