N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine

C13H24ClNO — CID 63386651

IUPACN-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine
SMILESClCCN(CC1CCCO1)C1CCCCC1
InChIInChI=1S/C13H24ClNO/c14-8-9-15(11-13-7-4-10-16-13)12-5-2-1-3-6-12/h12-13H,1-11H2
InChIKeySKIUDDCFFRJCPE-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.04
Rot. Bonds5

About N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine

N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine (PubChem CID 63386651) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine
PubChem CID63386651
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine
SMILESClCCN(CC1CCCO1)C1CCCCC1
InChIInChI=1S/C13H24ClNO/c14-8-9-15(11-13-7-4-10-16-13)12-5-2-1-3-6-12/h12-13H,1-11H2
InChIKeySKIUDDCFFRJCPE-UHFFFAOYSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine 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 N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine?
The IUPAC name of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine (CID 63386651) is N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine is ClCCN(CC1CCCO1)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine?
The InChIKey is SKIUDDCFFRJCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c14-8-9-15(11-13-7-4-10-16-13)12-5-2-1-3-6-12/h12-13H,1-11H2.
What are the key properties of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine?
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine has a molecular weight of 245.79 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine is sourced from PubChem (CID 63386651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).