4-(2-chloroprop-2-enoxy)cyclohexan-1-amine

C9H16ClNO — CID 62807934

IUPAC4-(2-chloroprop-2-enoxy)cyclohexan-1-amine
SMILESC=C(Cl)COC1CCC(N)CC1
InChIInChI=1S/C9H16ClNO/c1-7(10)6-12-9-4-2-8(11)3-5-9/h8-9H,1-6,11H2
InChIKeyIROTWGINGLCQKO-UHFFFAOYSA-N
MW189.69 g/mol
LogP2.03
Rot. Bonds3

About 4-(2-chloroprop-2-enoxy)cyclohexan-1-amine

4-(2-chloroprop-2-enoxy)cyclohexan-1-amine (PubChem CID 62807934) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-chloroprop-2-enoxy)cyclohexan-1-amine
PubChem CID62807934
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name4-(2-chloroprop-2-enoxy)cyclohexan-1-amine
SMILESC=C(Cl)COC1CCC(N)CC1
InChIInChI=1S/C9H16ClNO/c1-7(10)6-12-9-4-2-8(11)3-5-9/h8-9H,1-6,11H2
InChIKeyIROTWGINGLCQKO-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-chloroprop-2-enoxy)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enoxy)cyclohexan-1-amine?
The IUPAC name of 4-(2-chloroprop-2-enoxy)cyclohexan-1-amine (CID 62807934) is 4-(2-chloroprop-2-enoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-chloroprop-2-enoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(2-chloroprop-2-enoxy)cyclohexan-1-amine is C=C(Cl)COC1CCC(N)CC1.
What is the InChIKey of 4-(2-chloroprop-2-enoxy)cyclohexan-1-amine?
The InChIKey is IROTWGINGLCQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-7(10)6-12-9-4-2-8(11)3-5-9/h8-9H,1-6,11H2.
What are the key properties of 4-(2-chloroprop-2-enoxy)cyclohexan-1-amine?
4-(2-chloroprop-2-enoxy)cyclohexan-1-amine has a molecular weight of 189.69 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enoxy)cyclohexan-1-amine is sourced from PubChem (CID 62807934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).