3-chlorobutan-1-amine

C4H10ClN — CID 18316177

IUPAC3-chlorobutan-1-amine
SMILESCC(Cl)CCN
InChIInChI=1S/C4H10ClN/c1-4(5)2-3-6/h4H,2-3,6H2,1H3
InChIKeyFDPARAUDZWSHOH-UHFFFAOYSA-N
MW107.58 g/mol
LogP0.96
Rot. Bonds2

About 3-chlorobutan-1-amine

3-chlorobutan-1-amine (PubChem CID 18316177) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is 3-chlorobutan-1-amine.

Molecular Properties

Compound Name3-chlorobutan-1-amine
PubChem CID18316177
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Name3-chlorobutan-1-amine
SMILESCC(Cl)CCN
InChIInChI=1S/C4H10ClN/c1-4(5)2-3-6/h4H,2-3,6H2,1H3
InChIKeyFDPARAUDZWSHOH-UHFFFAOYSA-N
XLogP0.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.58
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Chloropropylamine
CID 84629
4-Chlorobutan-1-amine hydrochloride
CID 19075906
3-Chloro-2-methylpropan-1-amine hydrochloride
CID 86126331
4-Chlorobutan-1-amine
CID 12698240
2-Chloropropan-1-amine
CID 145856
2-Propanamine, 1-chloro-
CID 12931964
1-Chloropropyl amine hydrochloride
CID 20205730
1-Amino-2-chlorobutane hydrochloride
CID 20403571
5-Chlor-n-amylamin
CID 55290429
1-Chloro-2-methylpropan-1-amine
CID 57282318
Putrescinchlorid
CID 87177657
(s)-1-Chloropropylamine hydrochloride
CID 137374710

Frequently Asked Questions

What is the IUPAC name of 3-chlorobutan-1-amine?
The IUPAC name of 3-chlorobutan-1-amine (CID 18316177) is 3-chlorobutan-1-amine.
What is the SMILES notation for 3-chlorobutan-1-amine?
The canonical SMILES for 3-chlorobutan-1-amine is CC(Cl)CCN.
What is the InChIKey of 3-chlorobutan-1-amine?
The InChIKey is FDPARAUDZWSHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClN/c1-4(5)2-3-6/h4H,2-3,6H2,1H3.
What are the key properties of 3-chlorobutan-1-amine?
3-chlorobutan-1-amine has a molecular weight of 107.58 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobutan-1-amine is sourced from PubChem (CID 18316177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).