2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine

C13H24ClN — CID 106365175

IUPAC2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine
SMILESClCC1CCCCC1NC1CCCCC1
InChIInChI=1S/C13H24ClN/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h11-13,15H,1-10H2
InChIKeyMOHZBYWPKBYWNZ-UHFFFAOYSA-N
MW229.79 g/mol
LogP3.71
Rot. Bonds3

About 2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine

2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine (PubChem CID 106365175) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is 2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine
PubChem CID106365175
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC Name2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine
SMILESClCC1CCCCC1NC1CCCCC1
InChIInChI=1S/C13H24ClN/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h11-13,15H,1-10H2
InChIKeyMOHZBYWPKBYWNZ-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine (CID 106365175) is 2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine is ClCC1CCCCC1NC1CCCCC1.
What is the InChIKey of 2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine?
The InChIKey is MOHZBYWPKBYWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h11-13,15H,1-10H2.
What are the key properties of 2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine?
2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine has a molecular weight of 229.79 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine is sourced from PubChem (CID 106365175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).