N-(3-chloropropyl)butan-1-amine

C7H16ClN — CID 10909733

IUPACN-(3-chloropropyl)butan-1-amine
SMILESCCCCNCCCCl
InChIInChI=1S/C7H16ClN/c1-2-3-6-9-7-4-5-8/h9H,2-7H2,1H3
InChIKeyNEIFFYIKZKMFII-UHFFFAOYSA-N
MW149.66 g/mol
LogP2.01
Rot. Bonds6

About N-(3-chloropropyl)butan-1-amine

N-(3-chloropropyl)butan-1-amine (PubChem CID 10909733) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is N-(3-chloropropyl)butan-1-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)butan-1-amine
PubChem CID10909733
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC NameN-(3-chloropropyl)butan-1-amine
SMILESCCCCNCCCCl
InChIInChI=1S/C7H16ClN/c1-2-3-6-9-7-4-5-8/h9H,2-7H2,1H3
InChIKeyNEIFFYIKZKMFII-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 52.01
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)butan-1-amine?
The IUPAC name of N-(3-chloropropyl)butan-1-amine (CID 10909733) is N-(3-chloropropyl)butan-1-amine.
What is the SMILES notation for N-(3-chloropropyl)butan-1-amine?
The canonical SMILES for N-(3-chloropropyl)butan-1-amine is CCCCNCCCCl.
What is the InChIKey of N-(3-chloropropyl)butan-1-amine?
The InChIKey is NEIFFYIKZKMFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClN/c1-2-3-6-9-7-4-5-8/h9H,2-7H2,1H3.
What are the key properties of N-(3-chloropropyl)butan-1-amine?
N-(3-chloropropyl)butan-1-amine has a molecular weight of 149.66 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)butan-1-amine is sourced from PubChem (CID 10909733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).