N-chloropropan-1-amine

C3H8ClN — CID 12815211

IUPACN-chloropropan-1-amine
SMILESCCCNCl
InChIInChI=1S/C3H8ClN/c1-2-3-5-4/h5H,2-3H2,1H3
InChIKeyGVPKNZSJQDDDGN-UHFFFAOYSA-N
MW93.56 g/mol
LogP1.14
Rot. Bonds2

About N-chloropropan-1-amine

N-chloropropan-1-amine (PubChem CID 12815211) has the molecular formula C3H8ClN and a molecular weight of 93.56 g/mol. Its IUPAC name is N-chloropropan-1-amine.

Molecular Properties

Compound NameN-chloropropan-1-amine
PubChem CID12815211
Molecular FormulaC3H8ClN
Molecular Weight93.56 g/mol
Exact Mass93.03
IUPAC NameN-chloropropan-1-amine
SMILESCCCNCl
InChIInChI=1S/C3H8ClN/c1-2-3-5-4/h5H,2-3H2,1H3
InChIKeyGVPKNZSJQDDDGN-UHFFFAOYSA-N
XLogP1.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.56
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloropropan-1-amine?
The IUPAC name of N-chloropropan-1-amine (CID 12815211) is N-chloropropan-1-amine.
What is the SMILES notation for N-chloropropan-1-amine?
The canonical SMILES for N-chloropropan-1-amine is CCCNCl.
What is the InChIKey of N-chloropropan-1-amine?
The InChIKey is GVPKNZSJQDDDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClN/c1-2-3-5-4/h5H,2-3H2,1H3.
What are the key properties of N-chloropropan-1-amine?
N-chloropropan-1-amine has a molecular weight of 93.56 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloropropan-1-amine is sourced from PubChem (CID 12815211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).