1-amino-3,8-dimethylnonan-4-one

C11H23NO — CID 116594924

IUPAC1-amino-3,8-dimethylnonan-4-one
SMILESCC(C)CCCC(=O)C(C)CCN
InChIInChI=1S/C11H23NO/c1-9(2)5-4-6-11(13)10(3)7-8-12/h9-10H,4-8,12H2,1-3H3
InChIKeyIWGGWMUDLZEXSZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.37
Rot. Bonds7

About 1-amino-3,8-dimethylnonan-4-one

1-amino-3,8-dimethylnonan-4-one (PubChem CID 116594924) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-amino-3,8-dimethylnonan-4-one.

Molecular Properties

Compound Name1-amino-3,8-dimethylnonan-4-one
PubChem CID116594924
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-amino-3,8-dimethylnonan-4-one
SMILESCC(C)CCCC(=O)C(C)CCN
InChIInChI=1S/C11H23NO/c1-9(2)5-4-6-11(13)10(3)7-8-12/h9-10H,4-8,12H2,1-3H3
InChIKeyIWGGWMUDLZEXSZ-UHFFFAOYSA-N
XLogP2.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

2,7-dimethyl-1-(methylamino)octan-3-one
CID 116586892
3-(aminomethyl)-2,8-dimethylnonan-4-one
CID 116573959
2,6-dimethylheptane;2,7-dimethyloctan-3-one
CID 161345057
1-amino-3-methyloct-7-yn-4-one
CID 116594988
amino 5-methylhexanoate
CID 18970778
10-amino-1-methoxy-3-methyldecan-4-one
CID 116551483
(2S)-4-amino-2-methylbutanamide
CID 87412339
4-amino-2-methylbutanoic acid
CID 3759025
1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one
CID 116600664
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
11-amino-3-methylundecan-4-one
CID 176580818
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-(6-amino-4-methyl-3-oxohexyl)amino]propanamide
CID 90809348

Frequently Asked Questions

What is the IUPAC name of 1-amino-3,8-dimethylnonan-4-one?
The IUPAC name of 1-amino-3,8-dimethylnonan-4-one (CID 116594924) is 1-amino-3,8-dimethylnonan-4-one.
What is the SMILES notation for 1-amino-3,8-dimethylnonan-4-one?
The canonical SMILES for 1-amino-3,8-dimethylnonan-4-one is CC(C)CCCC(=O)C(C)CCN.
What is the InChIKey of 1-amino-3,8-dimethylnonan-4-one?
The InChIKey is IWGGWMUDLZEXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)5-4-6-11(13)10(3)7-8-12/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 1-amino-3,8-dimethylnonan-4-one?
1-amino-3,8-dimethylnonan-4-one has a molecular weight of 185.31 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,8-dimethylnonan-4-one is sourced from PubChem (CID 116594924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).