1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine

C10H16ClN — CID 91553471

IUPAC1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine
SMILES[H]/N=C(\C)CC1=C(C(C)Cl)C1CC
InChIInChI=1S/C10H16ClN/c1-4-8-9(5-6(2)12)10(8)7(3)11/h7-8,12H,4-5H2,1-3H3/b12-6+
InChIKeySWDSSHSNODYLGF-WUXMJOGZSA-N
MW185.70 g/mol
LogP3.38
Rot. Bonds4

About 1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine

1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine (PubChem CID 91553471) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is 1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine.

Molecular Properties

Compound Name1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine
PubChem CID91553471
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine
SMILES[H]/N=C(\C)CC1=C(C(C)Cl)C1CC
InChIInChI=1S/C10H16ClN/c1-4-8-9(5-6(2)12)10(8)7(3)11/h7-8,12H,4-5H2,1-3H3/b12-6+
InChIKeySWDSSHSNODYLGF-WUXMJOGZSA-N
XLogP3.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-Chloroethyl)-5,6-dimethylhept-2-en-4-imine
CID 123632512

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine?
The IUPAC name of 1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine (CID 91553471) is 1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine.
What is the SMILES notation for 1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine?
The canonical SMILES for 1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine is [H]/N=C(\C)CC1=C(C(C)Cl)C1CC.
What is the InChIKey of 1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine?
The InChIKey is SWDSSHSNODYLGF-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H16ClN/c1-4-8-9(5-6(2)12)10(8)7(3)11/h7-8,12H,4-5H2,1-3H3/b12-6+.
What are the key properties of 1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine?
1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine has a molecular weight of 185.70 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-chloroethyl)-3-ethylcyclopropen-1-yl]propan-2-imine is sourced from PubChem (CID 91553471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).