(1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine

C5H9Cl2N — CID 90020083

IUPAC(1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine
SMILESC[C@H](N)[C@H]1CC1(Cl)Cl
InChIInChI=1S/C5H9Cl2N/c1-3(8)4-2-5(4,6)7/h3-4H,2,8H2,1H3/t3-,4+/m0/s1
InChIKeyWVRXWJYIBMRGRY-IUYQGCFVSA-N
MW154.04 g/mol
LogP1.53
Rot. Bonds1

About (1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine

(1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine (PubChem CID 90020083) has the molecular formula C5H9Cl2N and a molecular weight of 154.04 g/mol. Its IUPAC name is (1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine
PubChem CID90020083
Molecular FormulaC5H9Cl2N
Molecular Weight154.04 g/mol
Exact Mass153.01
IUPAC Name(1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine
SMILESC[C@H](N)[C@H]1CC1(Cl)Cl
InChIInChI=1S/C5H9Cl2N/c1-3(8)4-2-5(4,6)7/h3-4H,2,8H2,1H3/t3-,4+/m0/s1
InChIKeyWVRXWJYIBMRGRY-IUYQGCFVSA-N
XLogP1.53
TPSA26.02 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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine 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

2-(2,2-Dichlorocyclopropyl)ethan-1-amine
CID 126812348
1,1,1-Trichloro-2-amino-pentane
CID 129812749
2,2-Dichloro-3,3-dimethylcyclopropan-1-amine
CID 70491911
(1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine
CID 90019205
(1R)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine
CID 90019515
[(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine
CID 90019531
(R)-1-((R)-2,2-Dichlorocyclopropyl)ethan-1-amine
CID 90019534
(2,2-Dichloro-3-methylcyclopropyl)methanamine;hydrochloride
CID 90019606
(2,2-Dichloro-3-methylcyclopropyl)methanamine
CID 90019607
[(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methanamine;hydrochloride
CID 90019608
[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]methanamine
CID 90019836
[(1S,3R)-2,2-dichloro-3-methylcyclopropyl]methanamine
CID 90020025

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine?
The IUPAC name of (1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine (CID 90020083) is (1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine.
What is the SMILES notation for (1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine?
The canonical SMILES for (1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine is C[C@H](N)[C@H]1CC1(Cl)Cl.
What is the InChIKey of (1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine?
The InChIKey is WVRXWJYIBMRGRY-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H9Cl2N/c1-3(8)4-2-5(4,6)7/h3-4H,2,8H2,1H3/t3-,4+/m0/s1.
What are the key properties of (1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine?
(1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine has a molecular weight of 154.04 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine is sourced from PubChem (CID 90020083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).