1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride

C13H26ClNO2 — CID 126477975

IUPAC1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride
SMILESCC(C)CC(=O)CN(C)CC(=O)C(C)(C)C.Cl
InChIInChI=1S/C13H25NO2.ClH/c1-10(2)7-11(15)8-14(6)9-12(16)13(3,4)5;/h10H,7-9H2,1-6H3;1H
InChIKeyHCPQXIPGRDVXSU-UHFFFAOYSA-N
MW263.81 g/mol
LogP2.57
Rot. Bonds6

About 1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride

1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride (PubChem CID 126477975) has the molecular formula C13H26ClNO2 and a molecular weight of 263.81 g/mol. Its IUPAC name is 1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride.

Molecular Properties

Compound Name1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride
PubChem CID126477975
Molecular FormulaC13H26ClNO2
Molecular Weight263.81 g/mol
Exact Mass263.17
IUPAC Name1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride
SMILESCC(C)CC(=O)CN(C)CC(=O)C(C)(C)C.Cl
InChIInChI=1S/C13H25NO2.ClH/c1-10(2)7-11(15)8-14(6)9-12(16)13(3,4)5;/h10H,7-9H2,1-6H3;1H
InChIKeyHCPQXIPGRDVXSU-UHFFFAOYSA-N
XLogP2.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride?
The IUPAC name of 1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride (CID 126477975) is 1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride.
What is the SMILES notation for 1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride?
The canonical SMILES for 1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride is CC(C)CC(=O)CN(C)CC(=O)C(C)(C)C.Cl.
What is the InChIKey of 1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride?
The InChIKey is HCPQXIPGRDVXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.ClH/c1-10(2)7-11(15)8-14(6)9-12(16)13(3,4)5;/h10H,7-9H2,1-6H3;1H.
What are the key properties of 1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride?
1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride has a molecular weight of 263.81 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethyl-2-oxobutyl)-methylamino]-4-methylpentan-2-one;hydrochloride is sourced from PubChem (CID 126477975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).