N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopropanamine

C12H22ClNO — CID 65165062

IUPACN-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopropanamine
SMILESClCCN(CCCC1CCCO1)C1CC1
InChIInChI=1S/C12H22ClNO/c13-7-9-14(11-5-6-11)8-1-3-12-4-2-10-15-12/h11-12H,1-10H2
InChIKeySELRIBRTIIPPDW-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.65
Rot. Bonds7

About N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopropanamine

N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopropanamine (PubChem CID 65165062) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopropanamine
PubChem CID65165062
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopropanamine
SMILESClCCN(CCCC1CCCO1)C1CC1
InChIInChI=1S/C12H22ClNO/c13-7-9-14(11-5-6-11)8-1-3-12-4-2-10-15-12/h11-12H,1-10H2
InChIKeySELRIBRTIIPPDW-UHFFFAOYSA-N
XLogP2.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.65
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-[3-(oxolan-2-yl)propyl]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-[3-(oxolan-2-yl)propyl]cyclopropanamine?
The IUPAC name of N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopropanamine (CID 65165062) is N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopropanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopropanamine is ClCCN(CCCC1CCCO1)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopropanamine?
The InChIKey is SELRIBRTIIPPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c13-7-9-14(11-5-6-11)8-1-3-12-4-2-10-15-12/h11-12H,1-10H2.
What are the key properties of N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopropanamine?
N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopropanamine has a molecular weight of 231.77 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]cyclopropanamine is sourced from PubChem (CID 65165062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).