(2S)-1-chlorobutan-2-amine

C4H10ClN — CID 130722137

IUPAC(2S)-1-chlorobutan-2-amine
SMILESCC[C@H](N)CCl
InChIInChI=1S/C4H10ClN/c1-2-4(6)3-5/h4H,2-3,6H2,1H3/t4-/m0/s1
InChIKeyYCUCPTDUZDXFNU-BYPYZUCNSA-N
MW107.58 g/mol
LogP0.96
Rot. Bonds2

About (2S)-1-chlorobutan-2-amine

(2S)-1-chlorobutan-2-amine (PubChem CID 130722137) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is (2S)-1-chlorobutan-2-amine.

Molecular Properties

Compound Name(2S)-1-chlorobutan-2-amine
PubChem CID130722137
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Name(2S)-1-chlorobutan-2-amine
SMILESCC[C@H](N)CCl
InChIInChI=1S/C4H10ClN/c1-2-4(6)3-5/h4H,2-3,6H2,1H3/t4-/m0/s1
InChIKeyYCUCPTDUZDXFNU-BYPYZUCNSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-chlorobutan-2-amine?
The IUPAC name of (2S)-1-chlorobutan-2-amine (CID 130722137) is (2S)-1-chlorobutan-2-amine.
What is the SMILES notation for (2S)-1-chlorobutan-2-amine?
The canonical SMILES for (2S)-1-chlorobutan-2-amine is CC[C@H](N)CCl.
What is the InChIKey of (2S)-1-chlorobutan-2-amine?
The InChIKey is YCUCPTDUZDXFNU-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H10ClN/c1-2-4(6)3-5/h4H,2-3,6H2,1H3/t4-/m0/s1.
What are the key properties of (2S)-1-chlorobutan-2-amine?
(2S)-1-chlorobutan-2-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 (2S)-1-chlorobutan-2-amine is sourced from PubChem (CID 130722137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).