1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride

C9H20ClNO — CID 3041050

IUPAC1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride
SMILESCN(C)CCC(=O)C(C)(C)C.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2,3)8(11)6-7-10(4)5;/h6-7H2,1-5H3;1H
InChIKeyNHRXYRRVZFAGOW-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.98
Rot. Bonds3

About 1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride

1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride (PubChem CID 3041050) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride.

Molecular Properties

Compound Name1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride
PubChem CID3041050
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride
SMILESCN(C)CCC(=O)C(C)(C)C.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2,3)8(11)6-7-10(4)5;/h6-7H2,1-5H3;1H
InChIKeyNHRXYRRVZFAGOW-UHFFFAOYSA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride?
The IUPAC name of 1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride (CID 3041050) is 1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride.
What is the SMILES notation for 1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride?
The canonical SMILES for 1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride is CN(C)CCC(=O)C(C)(C)C.Cl.
What is the InChIKey of 1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride?
The InChIKey is NHRXYRRVZFAGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-9(2,3)8(11)6-7-10(4)5;/h6-7H2,1-5H3;1H.
What are the key properties of 1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride?
1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4,4-dimethylpentan-3-one;hydrochloride is sourced from PubChem (CID 3041050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).