1-amino-4,4-dimethylpentan-2-one

C7H15NO — CID 54132585

IUPAC1-amino-4,4-dimethylpentan-2-one
SMILESCC(C)(C)CC(=O)CN
InChIInChI=1S/C7H15NO/c1-7(2,3)4-6(9)5-8/h4-5,8H2,1-3H3
InChIKeyNVJRFHADQJDXOT-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.95
Rot. Bonds2

About 1-amino-4,4-dimethylpentan-2-one

1-amino-4,4-dimethylpentan-2-one (PubChem CID 54132585) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-amino-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-amino-4,4-dimethylpentan-2-one
PubChem CID54132585
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-amino-4,4-dimethylpentan-2-one
SMILESCC(C)(C)CC(=O)CN
InChIInChI=1S/C7H15NO/c1-7(2,3)4-6(9)5-8/h4-5,8H2,1-3H3
InChIKeyNVJRFHADQJDXOT-UHFFFAOYSA-N
XLogP0.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 158540576
methane;2,2,7,7-tetramethyloctan-4-one
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8-amino-3,3,5,5-tetramethyl-7-oxooctanamide
CID 91440643
methyl 6,6-dimethyl-4-oxoheptanoate
CID 13350540
CID 174276018
CID 174276018
1-chloro-6,6-dimethylheptane-2,4-dione
CID 159748375
tert-butyl-(4,4-dimethyl-2-oxopentyl)azanium
CID 2063731
2,6-dimethylheptan-4-one;2,2,6-trimethylheptan-4-one
CID 167674911
4,4-dimethyl-1-methylsulfinylpentan-2-one
CID 14489832
1-cyclopropyl-4,4-dimethylpentan-2-one
CID 58286843
1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-2-one
CID 158276182
tris(6,6-dimethyl-2,4-dioxoheptanoate);indium(3+)
CID 174999023

Frequently Asked Questions

What is the IUPAC name of 1-amino-4,4-dimethylpentan-2-one?
The IUPAC name of 1-amino-4,4-dimethylpentan-2-one (CID 54132585) is 1-amino-4,4-dimethylpentan-2-one.
What is the SMILES notation for 1-amino-4,4-dimethylpentan-2-one?
The canonical SMILES for 1-amino-4,4-dimethylpentan-2-one is CC(C)(C)CC(=O)CN.
What is the InChIKey of 1-amino-4,4-dimethylpentan-2-one?
The InChIKey is NVJRFHADQJDXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2,3)4-6(9)5-8/h4-5,8H2,1-3H3.
What are the key properties of 1-amino-4,4-dimethylpentan-2-one?
1-amino-4,4-dimethylpentan-2-one has a molecular weight of 129.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4-dimethylpentan-2-one is sourced from PubChem (CID 54132585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).