1-amino-3-methylpentan-2-one;hydrochloride

C6H14ClNO — CID 154878698

IUPAC1-amino-3-methylpentan-2-one;hydrochloride
SMILESCCC(C)C(=O)CN.Cl
InChIInChI=1S/C6H13NO.ClH/c1-3-5(2)6(8)4-7;/h5H,3-4,7H2,1-2H3;1H
InChIKeyOAPJRMCURVTLPC-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.98
Rot. Bonds3

About 1-amino-3-methylpentan-2-one;hydrochloride

1-amino-3-methylpentan-2-one;hydrochloride (PubChem CID 154878698) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 1-amino-3-methylpentan-2-one;hydrochloride.

Molecular Properties

Compound Name1-amino-3-methylpentan-2-one;hydrochloride
PubChem CID154878698
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name1-amino-3-methylpentan-2-one;hydrochloride
SMILESCCC(C)C(=O)CN.Cl
InChIInChI=1S/C6H13NO.ClH/c1-3-5(2)6(8)4-7;/h5H,3-4,7H2,1-2H3;1H
InChIKeyOAPJRMCURVTLPC-UHFFFAOYSA-N
XLogP0.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-methylheptane-2,4-dione
CID 59270261
4-methyl-3-oxohexanamide
CID 91421150
(3S)-1-amino-3-hydroxypentan-2-one
CID 126711962
2,5-dimethylheptan-4-one
CID 12580686
11-amino-3-methylundecan-4-one
CID 176580818
1,3-diaminobutan-2-one
CID 18683672
ethyl (4S)-4-methyl-3-oxohexanoate
CID 58970620
(4-methyl-3-oxohexyl) 2-methylbutanoate
CID 58175067
methane;2-methylbutanamide
CID 158835184
5-methyl-4-oxoheptanoic acid
CID 21365481
(2S,5S)-5-methyl-2-sulfanylheptan-4-one
CID 129391433
[(3S)-3-methyl-2-oxopentyl]iminoazanide
CID 140537043

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methylpentan-2-one;hydrochloride?
The IUPAC name of 1-amino-3-methylpentan-2-one;hydrochloride (CID 154878698) is 1-amino-3-methylpentan-2-one;hydrochloride.
What is the SMILES notation for 1-amino-3-methylpentan-2-one;hydrochloride?
The canonical SMILES for 1-amino-3-methylpentan-2-one;hydrochloride is CCC(C)C(=O)CN.Cl.
What is the InChIKey of 1-amino-3-methylpentan-2-one;hydrochloride?
The InChIKey is OAPJRMCURVTLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-3-5(2)6(8)4-7;/h5H,3-4,7H2,1-2H3;1H.
What are the key properties of 1-amino-3-methylpentan-2-one;hydrochloride?
1-amino-3-methylpentan-2-one;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methylpentan-2-one;hydrochloride is sourced from PubChem (CID 154878698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).