(1R)-N-chloro-2-methylidenecyclohexan-1-amine

C7H12ClN — CID 89023498

IUPAC(1R)-N-chloro-2-methylidenecyclohexan-1-amine
SMILESC=C1CCCC[C@H]1NCl
InChIInChI=1S/C7H12ClN/c1-6-4-2-3-5-7(6)9-8/h7,9H,1-5H2/t7-/m1/s1
InChIKeyIKVIDYCCDXPYQJ-SSDOTTSWSA-N
MW145.63 g/mol
LogP2.23
Rot. Bonds1

About (1R)-N-chloro-2-methylidenecyclohexan-1-amine

(1R)-N-chloro-2-methylidenecyclohexan-1-amine (PubChem CID 89023498) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (1R)-N-chloro-2-methylidenecyclohexan-1-amine.

Molecular Properties

Compound Name(1R)-N-chloro-2-methylidenecyclohexan-1-amine
PubChem CID89023498
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(1R)-N-chloro-2-methylidenecyclohexan-1-amine
SMILESC=C1CCCC[C@H]1NCl
InChIInChI=1S/C7H12ClN/c1-6-4-2-3-5-7(6)9-8/h7,9H,1-5H2/t7-/m1/s1
InChIKeyIKVIDYCCDXPYQJ-SSDOTTSWSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze (1R)-N-chloro-2-methylidenecyclohexan-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 (1R)-N-chloro-2-methylidenecyclohexan-1-amine?
The IUPAC name of (1R)-N-chloro-2-methylidenecyclohexan-1-amine (CID 89023498) is (1R)-N-chloro-2-methylidenecyclohexan-1-amine.
What is the SMILES notation for (1R)-N-chloro-2-methylidenecyclohexan-1-amine?
The canonical SMILES for (1R)-N-chloro-2-methylidenecyclohexan-1-amine is C=C1CCCC[C@H]1NCl.
What is the InChIKey of (1R)-N-chloro-2-methylidenecyclohexan-1-amine?
The InChIKey is IKVIDYCCDXPYQJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12ClN/c1-6-4-2-3-5-7(6)9-8/h7,9H,1-5H2/t7-/m1/s1.
What are the key properties of (1R)-N-chloro-2-methylidenecyclohexan-1-amine?
(1R)-N-chloro-2-methylidenecyclohexan-1-amine has a molecular weight of 145.63 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-chloro-2-methylidenecyclohexan-1-amine is sourced from PubChem (CID 89023498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).