3-(aminomethyl)-2,8-dimethylnonan-4-one

C12H25NO — CID 116573959

IUPAC3-(aminomethyl)-2,8-dimethylnonan-4-one
SMILESCC(C)CCCC(=O)C(CN)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)6-5-7-12(14)11(8-13)10(3)4/h9-11H,5-8,13H2,1-4H3
InChIKeyFKNLBOYVYFCFMR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.61
Rot. Bonds7

About 3-(aminomethyl)-2,8-dimethylnonan-4-one

3-(aminomethyl)-2,8-dimethylnonan-4-one (PubChem CID 116573959) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(aminomethyl)-2,8-dimethylnonan-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-2,8-dimethylnonan-4-one
PubChem CID116573959
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(aminomethyl)-2,8-dimethylnonan-4-one
SMILESCC(C)CCCC(=O)C(CN)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)6-5-7-12(14)11(8-13)10(3)4/h9-11H,5-8,13H2,1-4H3
InChIKeyFKNLBOYVYFCFMR-UHFFFAOYSA-N
XLogP2.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3,8-dimethylnonan-4-one
CID 116594924
2,6-dimethylheptane;2,7-dimethyloctan-3-one
CID 161345057
amino 5-methylhexanoate
CID 18970778
2,7-dimethyl-1-(methylamino)octan-3-one
CID 116586892
1-amino-2,2,7-trimethyloctan-3-one
CID 116600063
3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one
CID 116574051
8-methyl-4-methylidenenonan-1-amine
CID 134380496
2,16-dimethylheptadecan-6-one
CID 158111781
sodium 5-methylhexanoate
CID 58914873
6-methyl-2-oxoheptanoate
CID 152759081
2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one
CID 116574057
amino 6-methylheptanoate
CID 54422100

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,8-dimethylnonan-4-one?
The IUPAC name of 3-(aminomethyl)-2,8-dimethylnonan-4-one (CID 116573959) is 3-(aminomethyl)-2,8-dimethylnonan-4-one.
What is the SMILES notation for 3-(aminomethyl)-2,8-dimethylnonan-4-one?
The canonical SMILES for 3-(aminomethyl)-2,8-dimethylnonan-4-one is CC(C)CCCC(=O)C(CN)C(C)C.
What is the InChIKey of 3-(aminomethyl)-2,8-dimethylnonan-4-one?
The InChIKey is FKNLBOYVYFCFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)6-5-7-12(14)11(8-13)10(3)4/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 3-(aminomethyl)-2,8-dimethylnonan-4-one?
3-(aminomethyl)-2,8-dimethylnonan-4-one has a molecular weight of 199.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,8-dimethylnonan-4-one is sourced from PubChem (CID 116573959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).