5-chloropentan-1-amine;hydrochloride

C5H13Cl2N — CID 18949894

IUPAC5-chloropentan-1-amine;hydrochloride
SMILESCl.NCCCCCCl
InChIInChI=1S/C5H12ClN.ClH/c6-4-2-1-3-5-7;/h1-5,7H2;1H
InChIKeyMXMGNWPTOBCQIL-UHFFFAOYSA-N
MW158.07 g/mol
LogP1.78
Rot. Bonds4

About 5-chloropentan-1-amine;hydrochloride

5-chloropentan-1-amine;hydrochloride (PubChem CID 18949894) has the molecular formula C5H13Cl2N and a molecular weight of 158.07 g/mol. Its IUPAC name is 5-chloropentan-1-amine;hydrochloride.

Molecular Properties

Compound Name5-chloropentan-1-amine;hydrochloride
PubChem CID18949894
Molecular FormulaC5H13Cl2N
Molecular Weight158.07 g/mol
Exact Mass157.04
IUPAC Name5-chloropentan-1-amine;hydrochloride
SMILESCl.NCCCCCCl
InChIInChI=1S/C5H12ClN.ClH/c6-4-2-1-3-5-7;/h1-5,7H2;1H
InChIKeyMXMGNWPTOBCQIL-UHFFFAOYSA-N
XLogP1.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-chloropentan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloropentan-1-amine;hydrochloride?
The IUPAC name of 5-chloropentan-1-amine;hydrochloride (CID 18949894) is 5-chloropentan-1-amine;hydrochloride.
What is the SMILES notation for 5-chloropentan-1-amine;hydrochloride?
The canonical SMILES for 5-chloropentan-1-amine;hydrochloride is Cl.NCCCCCCl.
What is the InChIKey of 5-chloropentan-1-amine;hydrochloride?
The InChIKey is MXMGNWPTOBCQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClN.ClH/c6-4-2-1-3-5-7;/h1-5,7H2;1H.
What are the key properties of 5-chloropentan-1-amine;hydrochloride?
5-chloropentan-1-amine;hydrochloride has a molecular weight of 158.07 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropentan-1-amine;hydrochloride is sourced from PubChem (CID 18949894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).