(1S)-1-chloropropan-1-amine;hydrochloride

C3H9Cl2N — CID 137374710

IUPAC(1S)-1-chloropropan-1-amine;hydrochloride
SMILESCC[C@@H](N)Cl.Cl
InChIInChI=1S/C3H8ClN.ClH/c1-2-3(4)5;/h3H,2,5H2,1H3;1H/t3-;/m1./s1
InChIKeyCNIJMXZYPCLATD-AENDTGMFSA-N
MW130.02 g/mol
LogP1.34
Rot. Bonds1

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

(1S)-1-chloropropan-1-amine;hydrochloride (PubChem CID 137374710) has the molecular formula C3H9Cl2N and a molecular weight of 130.02 g/mol. Its IUPAC name is (1S)-1-chloropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-chloropropan-1-amine;hydrochloride
PubChem CID137374710
Molecular FormulaC3H9Cl2N
Molecular Weight130.02 g/mol
Exact Mass129.01
IUPAC Name(1S)-1-chloropropan-1-amine;hydrochloride
SMILESCC[C@@H](N)Cl.Cl
InChIInChI=1S/C3H8ClN.ClH/c1-2-3(4)5;/h3H,2,5H2,1H3;1H/t3-;/m1./s1
InChIKeyCNIJMXZYPCLATD-AENDTGMFSA-N
XLogP1.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.02
LogP ≤ 51.34
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;hydrochloride?
The IUPAC name of (1S)-1-chloropropan-1-amine;hydrochloride (CID 137374710) is (1S)-1-chloropropan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-chloropropan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-chloropropan-1-amine;hydrochloride is CC[C@@H](N)Cl.Cl.
What is the InChIKey of (1S)-1-chloropropan-1-amine;hydrochloride?
The InChIKey is CNIJMXZYPCLATD-AENDTGMFSA-N. The full InChI is InChI=1S/C3H8ClN.ClH/c1-2-3(4)5;/h3H,2,5H2,1H3;1H/t3-;/m1./s1.
What are the key properties of (1S)-1-chloropropan-1-amine;hydrochloride?
(1S)-1-chloropropan-1-amine;hydrochloride has a molecular weight of 130.02 g/mol, XLogP of 1.34, 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;hydrochloride is sourced from PubChem (CID 137374710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).