(1S)-1-chloropropan-1-amine

C3H8ClN — CID 137374711

IUPAC(1S)-1-chloropropan-1-amine
SMILESCC[C@@H](N)Cl
InChIInChI=1S/C3H8ClN/c1-2-3(4)5/h3H,2,5H2,1H3/t3-/m1/s1
InChIKeyWBVFUFJAYLHDBI-GSVOUGTGSA-N
MW93.56 g/mol
LogP0.92
Rot. Bonds1

About (1S)-1-chloropropan-1-amine

(1S)-1-chloropropan-1-amine (PubChem CID 137374711) has the molecular formula C3H8ClN and a molecular weight of 93.56 g/mol. Its IUPAC name is (1S)-1-chloropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-chloropropan-1-amine
PubChem CID137374711
Molecular FormulaC3H8ClN
Molecular Weight93.56 g/mol
Exact Mass93.03
IUPAC Name(1S)-1-chloropropan-1-amine
SMILESCC[C@@H](N)Cl
InChIInChI=1S/C3H8ClN/c1-2-3(4)5/h3H,2,5H2,1H3/t3-/m1/s1
InChIKeyWBVFUFJAYLHDBI-GSVOUGTGSA-N
XLogP0.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.56
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-chloropropan-1-amine?
The IUPAC name of (1S)-1-chloropropan-1-amine (CID 137374711) is (1S)-1-chloropropan-1-amine.
What is the SMILES notation for (1S)-1-chloropropan-1-amine?
The canonical SMILES for (1S)-1-chloropropan-1-amine is CC[C@@H](N)Cl.
What is the InChIKey of (1S)-1-chloropropan-1-amine?
The InChIKey is WBVFUFJAYLHDBI-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H8ClN/c1-2-3(4)5/h3H,2,5H2,1H3/t3-/m1/s1.
What are the key properties of (1S)-1-chloropropan-1-amine?
(1S)-1-chloropropan-1-amine has a molecular weight of 93.56 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-chloropropan-1-amine is sourced from PubChem (CID 137374711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).