N-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine

C11H20ClNO — CID 65165113

IUPACN-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine
SMILESClCCN(CCC1CCCO1)C1CC1
InChIInChI=1S/C11H20ClNO/c12-6-8-13(10-3-4-10)7-5-11-2-1-9-14-11/h10-11H,1-9H2
InChIKeyIXWXQQKZBPLNIV-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.26
Rot. Bonds6

About N-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine

N-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine (PubChem CID 65165113) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine
PubChem CID65165113
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine
SMILESClCCN(CCC1CCCO1)C1CC1
InChIInChI=1S/C11H20ClNO/c12-6-8-13(10-3-4-10)7-5-11-2-1-9-14-11/h10-11H,1-9H2
InChIKeyIXWXQQKZBPLNIV-UHFFFAOYSA-N
XLogP2.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.26
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-[2-(oxolan-2-yl)ethyl]cyclopropanamine 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-[2-(oxolan-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine (CID 65165113) is N-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine is ClCCN(CCC1CCCO1)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine?
The InChIKey is IXWXQQKZBPLNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c12-6-8-13(10-3-4-10)7-5-11-2-1-9-14-11/h10-11H,1-9H2.
What are the key properties of N-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine?
N-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine has a molecular weight of 217.74 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 65165113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).