cis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine

C5H9Cl2N — CID 131743042

IUPACcis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine
SMILESCN[C@H]1[C@@H](C)C1(Cl)Cl
InChIInChI=1S/C5H9Cl2N/c1-3-4(8-2)5(3,6)7/h3-4,8H,1-2H3/t3-,4+/m1/s1
InChIKeyYOPRJXKUDZVWAF-DMTCNVIQSA-N
MW154.04 g/mol
LogP1.40
Rot. Bonds1

About cis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine

cis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine (PubChem CID 131743042) has the molecular formula C5H9Cl2N and a molecular weight of 154.04 g/mol. Its IUPAC name is cis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine
PubChem CID131743042
Molecular FormulaC5H9Cl2N
Molecular Weight154.04 g/mol
Exact Mass153.01
IUPAC Namecis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine
SMILESCN[C@H]1[C@@H](C)C1(Cl)Cl
InChIInChI=1S/C5H9Cl2N/c1-3-4(8-2)5(3,6)7/h3-4,8H,1-2H3/t3-,4+/m1/s1
InChIKeyYOPRJXKUDZVWAF-DMTCNVIQSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.04
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine 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 cis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine?
The IUPAC name of cis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine (CID 131743042) is cis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine.
What is the SMILES notation for cis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine?
The canonical SMILES for cis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine is CN[C@H]1[C@@H](C)C1(Cl)Cl.
What is the InChIKey of cis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine?
The InChIKey is YOPRJXKUDZVWAF-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H9Cl2N/c1-3-4(8-2)5(3,6)7/h3-4,8H,1-2H3/t3-,4+/m1/s1.
What are the key properties of cis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine?
cis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine has a molecular weight of 154.04 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2,2-dichloro-N,3-dimethylcyclopropan-1-amine is sourced from PubChem (CID 131743042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).