3-amino-2-methylheptan-4-one;hydrochloride

C8H18ClNO — CID 163199356

IUPAC3-amino-2-methylheptan-4-one;hydrochloride
SMILESCCCC(=O)C(N)C(C)C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-4-5-7(10)8(9)6(2)3;/h6,8H,4-5,9H2,1-3H3;1H
InChIKeyJSFBRDXHNKIGQO-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.76
Rot. Bonds4

About 3-amino-2-methylheptan-4-one;hydrochloride

3-amino-2-methylheptan-4-one;hydrochloride (PubChem CID 163199356) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 3-amino-2-methylheptan-4-one;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methylheptan-4-one;hydrochloride
PubChem CID163199356
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name3-amino-2-methylheptan-4-one;hydrochloride
SMILESCCCC(=O)C(N)C(C)C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-4-5-7(10)8(9)6(2)3;/h6,8H,4-5,9H2,1-3H3;1H
InChIKeyJSFBRDXHNKIGQO-UHFFFAOYSA-N
XLogP1.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-2-methylheptan-4-one
CID 88971560
(4R)-4-amino-5-methylhexan-3-one
CID 88898778
3-amino-2,7-dimethyloct-7-en-4-one
CID 114477853
(3S)-3-amino-2,7,7-trimethyloctan-4-one
CID 89201643
2,3-dimethylheptan-4-one
CID 19867142
(3R)-2,3-dimethylheptan-4-one
CID 121285503
(4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride
CID 54757376
3-amino-2-methylnon-8-yn-4-one
CID 116548980
3-amino-2-methylnon-8-en-4-one
CID 116549029
1-amino-2-methylhexan-3-one
CID 116564408
(2S)-2-amino-3-methylbutanoic acid;butanoic acid;pentanoic acid
CID 88670976
ethyl 2-amino-3-oxohexanoate
CID 11252792

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylheptan-4-one;hydrochloride?
The IUPAC name of 3-amino-2-methylheptan-4-one;hydrochloride (CID 163199356) is 3-amino-2-methylheptan-4-one;hydrochloride.
What is the SMILES notation for 3-amino-2-methylheptan-4-one;hydrochloride?
The canonical SMILES for 3-amino-2-methylheptan-4-one;hydrochloride is CCCC(=O)C(N)C(C)C.Cl.
What is the InChIKey of 3-amino-2-methylheptan-4-one;hydrochloride?
The InChIKey is JSFBRDXHNKIGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-4-5-7(10)8(9)6(2)3;/h6,8H,4-5,9H2,1-3H3;1H.
What are the key properties of 3-amino-2-methylheptan-4-one;hydrochloride?
3-amino-2-methylheptan-4-one;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylheptan-4-one;hydrochloride is sourced from PubChem (CID 163199356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).