4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride

C8H18ClNO — CID 54595168

IUPAC4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride
SMILESCC(=O)C(C)(C)CN(C)C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7(10)8(2,3)6-9(4)5;/h6H2,1-5H3;1H
InChIKeyVOTPURGAPJLDRV-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.59
Rot. Bonds3

About 4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride

4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride (PubChem CID 54595168) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride
PubChem CID54595168
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride
SMILESCC(=O)C(C)(C)CN(C)C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7(10)8(2,3)6-9(4)5;/h6H2,1-5H3;1H
InChIKeyVOTPURGAPJLDRV-UHFFFAOYSA-N
XLogP1.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride?
The IUPAC name of 4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride (CID 54595168) is 4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride is CC(=O)C(C)(C)CN(C)C.Cl.
What is the InChIKey of 4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride?
The InChIKey is VOTPURGAPJLDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-7(10)8(2,3)6-9(4)5;/h6H2,1-5H3;1H.
What are the key properties of 4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride?
4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3,3-dimethylbutan-2-one;hydrochloride is sourced from PubChem (CID 54595168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).