1-(dimethylamino)-2-methylpentan-3-one;hydrochloride

C8H18ClNO — CID 3048728

IUPAC1-(dimethylamino)-2-methylpentan-3-one;hydrochloride
SMILESCCC(=O)C(C)CN(C)C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-5-8(10)7(2)6-9(3)4;/h7H,5-6H2,1-4H3;1H
InChIKeyWBGDHAMLKWVLOC-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.59
Rot. Bonds4

About 1-(dimethylamino)-2-methylpentan-3-one;hydrochloride

1-(dimethylamino)-2-methylpentan-3-one;hydrochloride (PubChem CID 3048728) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methylpentan-3-one;hydrochloride.

Molecular Properties

Compound Name1-(dimethylamino)-2-methylpentan-3-one;hydrochloride
PubChem CID3048728
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name1-(dimethylamino)-2-methylpentan-3-one;hydrochloride
SMILESCCC(=O)C(C)CN(C)C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-5-8(10)7(2)6-9(3)4;/h7H,5-6H2,1-4H3;1H
InChIKeyWBGDHAMLKWVLOC-UHFFFAOYSA-N
XLogP1.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 1-(dimethylamino)-2-methylpentan-3-one;hydrochloride?
The IUPAC name of 1-(dimethylamino)-2-methylpentan-3-one;hydrochloride (CID 3048728) is 1-(dimethylamino)-2-methylpentan-3-one;hydrochloride.
What is the SMILES notation for 1-(dimethylamino)-2-methylpentan-3-one;hydrochloride?
The canonical SMILES for 1-(dimethylamino)-2-methylpentan-3-one;hydrochloride is CCC(=O)C(C)CN(C)C.Cl.
What is the InChIKey of 1-(dimethylamino)-2-methylpentan-3-one;hydrochloride?
The InChIKey is WBGDHAMLKWVLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-5-8(10)7(2)6-9(3)4;/h7H,5-6H2,1-4H3;1H.
What are the key properties of 1-(dimethylamino)-2-methylpentan-3-one;hydrochloride?
1-(dimethylamino)-2-methylpentan-3-one;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methylpentan-3-one;hydrochloride is sourced from PubChem (CID 3048728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).