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

C5H9Cl2N — CID 90019515

IUPAC(1R)-1-[(1S)-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+/m1/s1
InChIKeyWVRXWJYIBMRGRY-DMTCNVIQSA-N
MW154.04 g/mol
LogP1.53
Rot. Bonds1

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

(1R)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine (PubChem CID 90019515) has the molecular formula C5H9Cl2N and a molecular weight of 154.04 g/mol. Its IUPAC name is (1R)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine
PubChem CID90019515
Molecular FormulaC5H9Cl2N
Molecular Weight154.04 g/mol
Exact Mass153.01
IUPAC Name(1R)-1-[(1S)-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+/m1/s1
InChIKeyWVRXWJYIBMRGRY-DMTCNVIQSA-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 (1R)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine?
The IUPAC name of (1R)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine (CID 90019515) is (1R)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine.
What is the SMILES notation for (1R)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine?
The canonical SMILES for (1R)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine is C[C@@H](N)[C@@H]1CC1(Cl)Cl.
What is the InChIKey of (1R)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine?
The InChIKey is WVRXWJYIBMRGRY-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H9Cl2N/c1-3(8)4-2-5(4,6)7/h3-4H,2,8H2,1H3/t3-,4+/m1/s1.
What are the key properties of (1R)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine?
(1R)-1-[(1S)-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 (1R)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine is sourced from PubChem (CID 90019515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).