[(1S)-2,2-dichlorocyclopropyl]methanamine

C4H7Cl2N — CID 7128539

IUPAC[(1S)-2,2-dichlorocyclopropyl]methanamine
SMILESNC[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C4H7Cl2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2/t3-/m0/s1
InChIKeyAZJBFYHLWRPAIH-VKHMYHEASA-N
MW140.01 g/mol
LogP1.14
Rot. Bonds1

About [(1S)-2,2-dichlorocyclopropyl]methanamine

[(1S)-2,2-dichlorocyclopropyl]methanamine (PubChem CID 7128539) has the molecular formula C4H7Cl2N and a molecular weight of 140.01 g/mol. Its IUPAC name is [(1S)-2,2-dichlorocyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S)-2,2-dichlorocyclopropyl]methanamine
PubChem CID7128539
Molecular FormulaC4H7Cl2N
Molecular Weight140.01 g/mol
Exact Mass139.00
IUPAC Name[(1S)-2,2-dichlorocyclopropyl]methanamine
SMILESNC[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C4H7Cl2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2/t3-/m0/s1
InChIKeyAZJBFYHLWRPAIH-VKHMYHEASA-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'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-dichlorocyclopropyl]methanamine?
The IUPAC name of [(1S)-2,2-dichlorocyclopropyl]methanamine (CID 7128539) is [(1S)-2,2-dichlorocyclopropyl]methanamine.
What is the SMILES notation for [(1S)-2,2-dichlorocyclopropyl]methanamine?
The canonical SMILES for [(1S)-2,2-dichlorocyclopropyl]methanamine is NC[C@@H]1CC1(Cl)Cl.
What is the InChIKey of [(1S)-2,2-dichlorocyclopropyl]methanamine?
The InChIKey is AZJBFYHLWRPAIH-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7Cl2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2/t3-/m0/s1.
What are the key properties of [(1S)-2,2-dichlorocyclopropyl]methanamine?
[(1S)-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 [(1S)-2,2-dichlorocyclopropyl]methanamine is sourced from PubChem (CID 7128539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).