3-chloropropan-1-amine;hydrochloride

C3H9Cl2N — CID 11469095

IUPAC3-chloropropan-1-amine;hydrochloride
SMILESCl.NCCCCl
InChIInChI=1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H
InChIKeyIHPRVZKJZGXTBQ-UHFFFAOYSA-N
MW130.02 g/mol
LogP1.00
Rot. Bonds2

About 3-chloropropan-1-amine;hydrochloride

3-chloropropan-1-amine;hydrochloride (PubChem CID 11469095) has the molecular formula C3H9Cl2N and a molecular weight of 130.02 g/mol. Its IUPAC name is 3-chloropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-chloropropan-1-amine;hydrochloride
PubChem CID11469095
Molecular FormulaC3H9Cl2N
Molecular Weight130.02 g/mol
Exact Mass129.01
IUPAC Name3-chloropropan-1-amine;hydrochloride
SMILESCl.NCCCCl
InChIInChI=1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H
InChIKeyIHPRVZKJZGXTBQ-UHFFFAOYSA-N
XLogP1.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.02
LogP ≤ 51.00
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 3-chloropropan-1-amine;hydrochloride?
The IUPAC name of 3-chloropropan-1-amine;hydrochloride (CID 11469095) is 3-chloropropan-1-amine;hydrochloride.
What is the SMILES notation for 3-chloropropan-1-amine;hydrochloride?
The canonical SMILES for 3-chloropropan-1-amine;hydrochloride is Cl.NCCCCl.
What is the InChIKey of 3-chloropropan-1-amine;hydrochloride?
The InChIKey is IHPRVZKJZGXTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H.
What are the key properties of 3-chloropropan-1-amine;hydrochloride?
3-chloropropan-1-amine;hydrochloride has a molecular weight of 130.02 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropan-1-amine;hydrochloride is sourced from PubChem (CID 11469095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).