4-chlorobutan-1-amine;hydrochloride

C4H11Cl2N — CID 19075906

IUPAC4-chlorobutan-1-amine;hydrochloride
SMILESCl.NCCCCCl
InChIInChI=1S/C4H10ClN.ClH/c5-3-1-2-4-6;/h1-4,6H2;1H
InChIKeyNSDWMQZDGGQRLM-UHFFFAOYSA-N
MW144.04 g/mol
LogP1.39
Rot. Bonds3

About 4-chlorobutan-1-amine;hydrochloride

4-chlorobutan-1-amine;hydrochloride (PubChem CID 19075906) has the molecular formula C4H11Cl2N and a molecular weight of 144.04 g/mol. Its IUPAC name is 4-chlorobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-chlorobutan-1-amine;hydrochloride
PubChem CID19075906
Molecular FormulaC4H11Cl2N
Molecular Weight144.04 g/mol
Exact Mass143.03
IUPAC Name4-chlorobutan-1-amine;hydrochloride
SMILESCl.NCCCCCl
InChIInChI=1S/C4H10ClN.ClH/c5-3-1-2-4-6;/h1-4,6H2;1H
InChIKeyNSDWMQZDGGQRLM-UHFFFAOYSA-N
XLogP1.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.04
LogP ≤ 51.39
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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Related Compounds

1-Propanamine, 3-chloro-, hydrochloride
CID 11469095
2,5-dichloropentan-1-amine Hydrochloride
CID 2737572
5-Chloropentan-1-amine hydrochloride
CID 18949894
6-Chlorohexan-1-amine hydrochloride
CID 20499258
4-Chlorobutan-2-amine hydrochloride
CID 76223739
3-Chlorocyclobutan-1-amine hydrochloride
CID 139807884
(2S)-1-chlorobutan-2-amine hydrochloride
CID 141139288
(2S)-4-chlorobutan-2-amine hydrochloride
CID 155169830
4-Chlorobutan-1-amine
CID 12698240
6-Chlorohexan-1-amine
CID 17838841
4,4,4-Trichlorobutylamine
CID 23423631
3-Chloropropylazanium chloride
CID 10877148

Frequently Asked Questions

What is the IUPAC name of 4-chlorobutan-1-amine;hydrochloride?
The IUPAC name of 4-chlorobutan-1-amine;hydrochloride (CID 19075906) is 4-chlorobutan-1-amine;hydrochloride.
What is the SMILES notation for 4-chlorobutan-1-amine;hydrochloride?
The canonical SMILES for 4-chlorobutan-1-amine;hydrochloride is Cl.NCCCCCl.
What is the InChIKey of 4-chlorobutan-1-amine;hydrochloride?
The InChIKey is NSDWMQZDGGQRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClN.ClH/c5-3-1-2-4-6;/h1-4,6H2;1H.
What are the key properties of 4-chlorobutan-1-amine;hydrochloride?
4-chlorobutan-1-amine;hydrochloride has a molecular weight of 144.04 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutan-1-amine;hydrochloride is sourced from PubChem (CID 19075906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).