4-amino-3,3,4-trimethylpentan-2-one;hydrochloride

C8H18ClNO — CID 162335722

IUPAC4-amino-3,3,4-trimethylpentan-2-one;hydrochloride
SMILESCC(=O)C(C)(C)C(C)(C)N.Cl
InChIInChI=1S/C8H17NO.ClH/c1-6(10)7(2,3)8(4,5)9;/h9H2,1-5H3;1H
InChIKeyMZMSEBQUBINFGW-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.76
Rot. Bonds2

About 4-amino-3,3,4-trimethylpentan-2-one;hydrochloride

4-amino-3,3,4-trimethylpentan-2-one;hydrochloride (PubChem CID 162335722) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 4-amino-3,3,4-trimethylpentan-2-one;hydrochloride.

Molecular Properties

Compound Name4-amino-3,3,4-trimethylpentan-2-one;hydrochloride
PubChem CID162335722
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name4-amino-3,3,4-trimethylpentan-2-one;hydrochloride
SMILESCC(=O)C(C)(C)C(C)(C)N.Cl
InChIInChI=1S/C8H17NO.ClH/c1-6(10)7(2,3)8(4,5)9;/h9H2,1-5H3;1H
InChIKeyMZMSEBQUBINFGW-UHFFFAOYSA-N
XLogP1.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

3-amino-3-methylbutan-2-one
CID 4913006
3-amino-2,2,3-trimethylbutanamide
CID 65264733
bis(3-acetyl-3,4,4-trimethylhexane-2,5-dione);hydrate
CID 175185718
2-amino-2-methylpropanamide;dihydrochloride
CID 142633616
(3S,4R)-3-amino-4-hydroxy-3,5-dimethylhexan-2-one
CID 158269541
3-amino-N-methoxy-2,2,3-trimethylbutanamide
CID 65267021
3-amino-3-(methylamino)butan-2-one
CID 90769202
2-amino-2-methylpropanethioic S-acid;hydrochloride
CID 135147542
2-amino-2,3,3,6-tetramethylheptan-4-one
CID 116573551
(3-amino-2,3-dimethylbutan-2-yl) acetate
CID 163657238
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylbutanamide
CID 65269732
6-amino-5,5,6-trimethylhept-1-en-4-one
CID 116573507

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3,4-trimethylpentan-2-one;hydrochloride?
The IUPAC name of 4-amino-3,3,4-trimethylpentan-2-one;hydrochloride (CID 162335722) is 4-amino-3,3,4-trimethylpentan-2-one;hydrochloride.
What is the SMILES notation for 4-amino-3,3,4-trimethylpentan-2-one;hydrochloride?
The canonical SMILES for 4-amino-3,3,4-trimethylpentan-2-one;hydrochloride is CC(=O)C(C)(C)C(C)(C)N.Cl.
What is the InChIKey of 4-amino-3,3,4-trimethylpentan-2-one;hydrochloride?
The InChIKey is MZMSEBQUBINFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-6(10)7(2,3)8(4,5)9;/h9H2,1-5H3;1H.
What are the key properties of 4-amino-3,3,4-trimethylpentan-2-one;hydrochloride?
4-amino-3,3,4-trimethylpentan-2-one;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3,4-trimethylpentan-2-one;hydrochloride is sourced from PubChem (CID 162335722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).