4-amino-3,7-dimethylnonan-5-one

C11H23NO — CID 116552681

IUPAC4-amino-3,7-dimethylnonan-5-one
SMILESCCC(C)CC(=O)C(N)C(C)CC
InChIInChI=1S/C11H23NO/c1-5-8(3)7-10(13)11(12)9(4)6-2/h8-9,11H,5-7,12H2,1-4H3
InChIKeyIHYZCCQWXSRZKE-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.37
Rot. Bonds6

About 4-amino-3,7-dimethylnonan-5-one

4-amino-3,7-dimethylnonan-5-one (PubChem CID 116552681) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-amino-3,7-dimethylnonan-5-one.

Molecular Properties

Compound Name4-amino-3,7-dimethylnonan-5-one
PubChem CID116552681
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-amino-3,7-dimethylnonan-5-one
SMILESCCC(C)CC(=O)C(N)C(C)CC
InChIInChI=1S/C11H23NO/c1-5-8(3)7-10(13)11(12)9(4)6-2/h8-9,11H,5-7,12H2,1-4H3
InChIKeyIHYZCCQWXSRZKE-UHFFFAOYSA-N
XLogP2.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-methoxy-4-methylhexan-2-one
CID 116552707
6-amino-3-methylnonan-5-one
CID 116554552
(2S)-2-amino-3-methylpentanamide
CID 10290817
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3S)-2-amino-3-methylpentanoic acid;2-methylbutan-1-ol
CID 90040731
(5R)-4-amino-2,5-dimethylheptan-3-one
CID 59877270
ethyl (3R)-3-methylpentanoate
CID 7567160
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,7-dimethylnonan-5-one?
The IUPAC name of 4-amino-3,7-dimethylnonan-5-one (CID 116552681) is 4-amino-3,7-dimethylnonan-5-one.
What is the SMILES notation for 4-amino-3,7-dimethylnonan-5-one?
The canonical SMILES for 4-amino-3,7-dimethylnonan-5-one is CCC(C)CC(=O)C(N)C(C)CC.
What is the InChIKey of 4-amino-3,7-dimethylnonan-5-one?
The InChIKey is IHYZCCQWXSRZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-8(3)7-10(13)11(12)9(4)6-2/h8-9,11H,5-7,12H2,1-4H3.
What are the key properties of 4-amino-3,7-dimethylnonan-5-one?
4-amino-3,7-dimethylnonan-5-one has a molecular weight of 185.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,7-dimethylnonan-5-one is sourced from PubChem (CID 116552681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).