4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride

C8H18ClNO — CID 170917838

IUPAC4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride
SMILESCNCCC(=O)C(C)(C)C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(2,3)7(10)5-6-9-4;/h9H,5-6H2,1-4H3;1H
InChIKeyQOPHDFRQMZYSST-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.63
Rot. Bonds3

About 4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride

4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride (PubChem CID 170917838) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride.

Molecular Properties

Compound Name4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride
PubChem CID170917838
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride
SMILESCNCCC(=O)C(C)(C)C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(2,3)7(10)5-6-9-4;/h9H,5-6H2,1-4H3;1H
InChIKeyQOPHDFRQMZYSST-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3041050
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1-Methylamino-2-methylpentanon-3
CID 55286261
N-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide
CID 10375924
(4,4-Dimethyl-3-oxopentyl)-dimethylazanium chloride
CID 10856349
4-Methyl-1-(methylamino)pentan-3-one
CID 12691011
1-(Tert-butylamino)-4,4-dimethylpentan-3-one
CID 15635558
4,4-Dimethyl-1-(propan-2-ylamino)pentan-3-one
CID 15635562
4-(4-Methylpentylamino)butan-2-one
CID 20626141
2,2,5,5-Tetramethyl-6-(methylamino)hexan-3-one
CID 21338896
3,3,5-Trimethyl-4-piperidone
CID 22278876

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride?
The IUPAC name of 4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride (CID 170917838) is 4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride.
What is the SMILES notation for 4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride?
The canonical SMILES for 4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride is CNCCC(=O)C(C)(C)C.Cl.
What is the InChIKey of 4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride?
The InChIKey is QOPHDFRQMZYSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-8(2,3)7(10)5-6-9-4;/h9H,5-6H2,1-4H3;1H.
What are the key properties of 4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride?
4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(methylamino)pentan-3-one;hydrochloride is sourced from PubChem (CID 170917838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).