3-chloro-N-propylpropan-1-amine

C6H14ClN — CID 22245838

IUPAC3-chloro-N-propylpropan-1-amine
SMILESCCCNCCCCl
InChIInChI=1S/C6H14ClN/c1-2-5-8-6-3-4-7/h8H,2-6H2,1H3
InChIKeyQDNVQQPKBRGLSF-UHFFFAOYSA-N
MW135.64 g/mol
LogP1.61
Rot. Bonds5

About 3-chloro-N-propylpropan-1-amine

3-chloro-N-propylpropan-1-amine (PubChem CID 22245838) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is 3-chloro-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-propylpropan-1-amine
PubChem CID22245838
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC Name3-chloro-N-propylpropan-1-amine
SMILESCCCNCCCCl
InChIInChI=1S/C6H14ClN/c1-2-5-8-6-3-4-7/h8H,2-6H2,1H3
InChIKeyQDNVQQPKBRGLSF-UHFFFAOYSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.64
LogP ≤ 51.61
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 3-chloro-N-propylpropan-1-amine 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 3-chloro-N-propylpropan-1-amine?
The IUPAC name of 3-chloro-N-propylpropan-1-amine (CID 22245838) is 3-chloro-N-propylpropan-1-amine.
What is the SMILES notation for 3-chloro-N-propylpropan-1-amine?
The canonical SMILES for 3-chloro-N-propylpropan-1-amine is CCCNCCCCl.
What is the InChIKey of 3-chloro-N-propylpropan-1-amine?
The InChIKey is QDNVQQPKBRGLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClN/c1-2-5-8-6-3-4-7/h8H,2-6H2,1H3.
What are the key properties of 3-chloro-N-propylpropan-1-amine?
3-chloro-N-propylpropan-1-amine has a molecular weight of 135.64 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-propylpropan-1-amine is sourced from PubChem (CID 22245838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).