(2,2-dichlorocyclopropyl)methanamine

C4H7Cl2N — CID 4961683

IUPAC(2,2-dichlorocyclopropyl)methanamine
SMILESNCC1CC1(Cl)Cl
InChIInChI=1S/C4H7Cl2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2
InChIKeyAZJBFYHLWRPAIH-UHFFFAOYSA-N
MW140.01 g/mol
LogP1.14
Rot. Bonds1

About (2,2-dichlorocyclopropyl)methanamine

(2,2-dichlorocyclopropyl)methanamine (PubChem CID 4961683) has the molecular formula C4H7Cl2N and a molecular weight of 140.01 g/mol. Its IUPAC name is (2,2-dichlorocyclopropyl)methanamine.

Molecular Properties

Compound Name(2,2-dichlorocyclopropyl)methanamine
PubChem CID4961683
Molecular FormulaC4H7Cl2N
Molecular Weight140.01 g/mol
Exact Mass139.00
IUPAC Name(2,2-dichlorocyclopropyl)methanamine
SMILESNCC1CC1(Cl)Cl
InChIInChI=1S/C4H7Cl2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2
InChIKeyAZJBFYHLWRPAIH-UHFFFAOYSA-N
XLogP1.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.01
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2,2-dichlorocyclopropyl)methanamine 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 (2,2-dichlorocyclopropyl)methanamine?
The IUPAC name of (2,2-dichlorocyclopropyl)methanamine (CID 4961683) is (2,2-dichlorocyclopropyl)methanamine.
What is the SMILES notation for (2,2-dichlorocyclopropyl)methanamine?
The canonical SMILES for (2,2-dichlorocyclopropyl)methanamine is NCC1CC1(Cl)Cl.
What is the InChIKey of (2,2-dichlorocyclopropyl)methanamine?
The InChIKey is AZJBFYHLWRPAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2.
What are the key properties of (2,2-dichlorocyclopropyl)methanamine?
(2,2-dichlorocyclopropyl)methanamine has a molecular weight of 140.01 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichlorocyclopropyl)methanamine is sourced from PubChem (CID 4961683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).