4-amino-2,2-dimethylheptan-3-one

C9H19NO — CID 116554671

IUPAC4-amino-2,2-dimethylheptan-3-one
SMILESCCCC(N)C(=O)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-6-7(10)8(11)9(2,3)4/h7H,5-6,10H2,1-4H3
InChIKeyMTNLYSAFYQFKMA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.73
Rot. Bonds3

About 4-amino-2,2-dimethylheptan-3-one

4-amino-2,2-dimethylheptan-3-one (PubChem CID 116554671) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-amino-2,2-dimethylheptan-3-one.

Molecular Properties

Compound Name4-amino-2,2-dimethylheptan-3-one
PubChem CID116554671
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-amino-2,2-dimethylheptan-3-one
SMILESCCCC(N)C(=O)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-6-7(10)8(11)9(2,3)4/h7H,5-6,10H2,1-4H3
InChIKeyMTNLYSAFYQFKMA-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-2,2-dimethyloctan-3-one;ethane;molecular hydrogen
CID 177241681
4-amino-2,2,6-trimethylnonan-3-one;ethane
CID 142239507
(4S)-4-amino-2,2,7,7-tetramethyloctan-3-one
CID 167383271
(4S)-4-amino-6,6-dimethyl-5-oxoheptanoic acid;sulfane
CID 158948664
4-hydroxy-2,2-dimethylheptan-3-one
CID 103453766
(3-amino-5,5-dimethyl-4-oxohexyl)-methylphosphinic acid
CID 155787758
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane
CID 142239702
(4R)-4,9-diamino-2,2-dimethyldec-9-en-3-one
CID 163441326
3-amino-2-propan-2-ylidenehexanamide
CID 87189971
4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one
CID 142239634

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethylheptan-3-one?
The IUPAC name of 4-amino-2,2-dimethylheptan-3-one (CID 116554671) is 4-amino-2,2-dimethylheptan-3-one.
What is the SMILES notation for 4-amino-2,2-dimethylheptan-3-one?
The canonical SMILES for 4-amino-2,2-dimethylheptan-3-one is CCCC(N)C(=O)C(C)(C)C.
What is the InChIKey of 4-amino-2,2-dimethylheptan-3-one?
The InChIKey is MTNLYSAFYQFKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-7(10)8(11)9(2,3)4/h7H,5-6,10H2,1-4H3.
What are the key properties of 4-amino-2,2-dimethylheptan-3-one?
4-amino-2,2-dimethylheptan-3-one has a molecular weight of 157.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethylheptan-3-one is sourced from PubChem (CID 116554671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).