1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine

C13H23N3 — CID 64742243

IUPAC1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine
SMILESCCC1CCCC(Nc2nccn2CC)C1
InChIInChI=1S/C13H23N3/c1-3-11-6-5-7-12(10-11)15-13-14-8-9-16(13)4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H,14,15)
InChIKeyBTNOSUDIHSNXGV-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.28
Rot. Bonds4

About 1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine

1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine (PubChem CID 64742243) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine
PubChem CID64742243
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine
SMILESCCC1CCCC(Nc2nccn2CC)C1
InChIInChI=1S/C13H23N3/c1-3-11-6-5-7-12(10-11)15-13-14-8-9-16(13)4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H,14,15)
InChIKeyBTNOSUDIHSNXGV-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine?
The IUPAC name of 1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine (CID 64742243) is 1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine.
What is the SMILES notation for 1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine?
The canonical SMILES for 1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine is CCC1CCCC(Nc2nccn2CC)C1.
What is the InChIKey of 1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine?
The InChIKey is BTNOSUDIHSNXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11-6-5-7-12(10-11)15-13-14-8-9-16(13)4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H,14,15).
What are the key properties of 1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine?
1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine is sourced from PubChem (CID 64742243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).