2-amino-2,6-dimethylheptan-3-one

C9H19NO — CID 116560063

IUPAC2-amino-2,6-dimethylheptan-3-one
SMILESCC(C)CCC(=O)C(C)(C)N
InChIInChI=1S/C9H19NO/c1-7(2)5-6-8(11)9(3,4)10/h7H,5-6,10H2,1-4H3
InChIKeySPBAHUZYEIUGPR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.73
Rot. Bonds4

About 2-amino-2,6-dimethylheptan-3-one

2-amino-2,6-dimethylheptan-3-one (PubChem CID 116560063) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-amino-2,6-dimethylheptan-3-one.

Molecular Properties

Compound Name2-amino-2,6-dimethylheptan-3-one
PubChem CID116560063
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-amino-2,6-dimethylheptan-3-one
SMILESCC(C)CCC(=O)C(C)(C)N
InChIInChI=1S/C9H19NO/c1-7(2)5-6-8(11)9(3,4)10/h7H,5-6,10H2,1-4H3
InChIKeySPBAHUZYEIUGPR-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-amino-2-cyclopropyl-6-methylheptan-3-one
CID 116558377
1-amino-1-hydroxy-5-methyl-1-methylsulfanylhexan-2-one
CID 22438130
2,6-dimethyl-3-methylideneheptan-2-amine
CID 135224839
methyl 2,2,6-trimethyl-3-oxoheptanoate
CID 91150314
1-amino-2,2,7-trimethyloctan-3-one
CID 116600063
3-amino-3-ethyl-8-methylnonan-4-one
CID 116592714
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methylpentanamide
CID 130214691
tert-butyl 4-methylpentanoate
CID 14724205
2-amino-2-methylpentadecan-3-one
CID 116560229
2-amino-2-methyloctadecan-3-one
CID 175961283
6-amino-2,2,9-trimethyldecane-3,7-dione
CID 166970989
2-amino-2,3,3,6-tetramethylheptan-4-one
CID 116573551

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,6-dimethylheptan-3-one?
The IUPAC name of 2-amino-2,6-dimethylheptan-3-one (CID 116560063) is 2-amino-2,6-dimethylheptan-3-one.
What is the SMILES notation for 2-amino-2,6-dimethylheptan-3-one?
The canonical SMILES for 2-amino-2,6-dimethylheptan-3-one is CC(C)CCC(=O)C(C)(C)N.
What is the InChIKey of 2-amino-2,6-dimethylheptan-3-one?
The InChIKey is SPBAHUZYEIUGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)5-6-8(11)9(3,4)10/h7H,5-6,10H2,1-4H3.
What are the key properties of 2-amino-2,6-dimethylheptan-3-one?
2-amino-2,6-dimethylheptan-3-one has a molecular weight of 157.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,6-dimethylheptan-3-one is sourced from PubChem (CID 116560063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).