N-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine

C11H18ClN3 — CID 65029087

IUPACN-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine
SMILESCCn1ccnc1NC1CCCCC1Cl
InChIInChI=1S/C11H18ClN3/c1-2-15-8-7-13-11(15)14-10-6-4-3-5-9(10)12/h7-10H,2-6H2,1H3,(H,13,14)
InChIKeyCPXLNOZPJQFAAH-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.86
Rot. Bonds3

About N-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine

N-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine (PubChem CID 65029087) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine
PubChem CID65029087
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine
SMILESCCn1ccnc1NC1CCCCC1Cl
InChIInChI=1S/C11H18ClN3/c1-2-15-8-7-13-11(15)14-10-6-4-3-5-9(10)12/h7-10H,2-6H2,1H3,(H,13,14)
InChIKeyCPXLNOZPJQFAAH-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine?
The IUPAC name of N-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine (CID 65029087) is N-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine.
What is the SMILES notation for N-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine?
The canonical SMILES for N-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine is CCn1ccnc1NC1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine?
The InChIKey is CPXLNOZPJQFAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-2-15-8-7-13-11(15)14-10-6-4-3-5-9(10)12/h7-10H,2-6H2,1H3,(H,13,14).
What are the key properties of N-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine?
N-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine has a molecular weight of 227.74 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine is sourced from PubChem (CID 65029087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).