(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'}

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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).