3-amino-3-methylpentanoyl chloride;hydrochloride

C6H13Cl2NO — CID 18372009

IUPAC3-amino-3-methylpentanoyl chloride;hydrochloride
SMILESCCC(C)(N)CC(=O)Cl.Cl
InChIInChI=1S/C6H12ClNO.ClH/c1-3-6(2,8)4-5(7)9;/h3-4,8H2,1-2H3;1H
InChIKeyPJMFZWHZMYAPDH-UHFFFAOYSA-N
MW186.08 g/mol
LogP1.69
Rot. Bonds3

About 3-amino-3-methylpentanoyl chloride;hydrochloride

3-amino-3-methylpentanoyl chloride;hydrochloride (PubChem CID 18372009) has the molecular formula C6H13Cl2NO and a molecular weight of 186.08 g/mol. Its IUPAC name is 3-amino-3-methylpentanoyl chloride;hydrochloride.

Molecular Properties

Compound Name3-amino-3-methylpentanoyl chloride;hydrochloride
PubChem CID18372009
Molecular FormulaC6H13Cl2NO
Molecular Weight186.08 g/mol
Exact Mass185.04
IUPAC Name3-amino-3-methylpentanoyl chloride;hydrochloride
SMILESCCC(C)(N)CC(=O)Cl.Cl
InChIInChI=1S/C6H12ClNO.ClH/c1-3-6(2,8)4-5(7)9;/h3-4,8H2,1-2H3;1H
InChIKeyPJMFZWHZMYAPDH-UHFFFAOYSA-N
XLogP1.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methylpentanoyl chloride;hydrochloride?
The IUPAC name of 3-amino-3-methylpentanoyl chloride;hydrochloride (CID 18372009) is 3-amino-3-methylpentanoyl chloride;hydrochloride.
What is the SMILES notation for 3-amino-3-methylpentanoyl chloride;hydrochloride?
The canonical SMILES for 3-amino-3-methylpentanoyl chloride;hydrochloride is CCC(C)(N)CC(=O)Cl.Cl.
What is the InChIKey of 3-amino-3-methylpentanoyl chloride;hydrochloride?
The InChIKey is PJMFZWHZMYAPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO.ClH/c1-3-6(2,8)4-5(7)9;/h3-4,8H2,1-2H3;1H.
What are the key properties of 3-amino-3-methylpentanoyl chloride;hydrochloride?
3-amino-3-methylpentanoyl chloride;hydrochloride has a molecular weight of 186.08 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methylpentanoyl chloride;hydrochloride is sourced from PubChem (CID 18372009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).