3-amino-3-ethyl-8-methylnonan-4-one

C12H25NO — CID 116592714

IUPAC3-amino-3-ethyl-8-methylnonan-4-one
SMILESCCC(N)(CC)C(=O)CCCC(C)C
InChIInChI=1S/C12H25NO/c1-5-12(13,6-2)11(14)9-7-8-10(3)4/h10H,5-9,13H2,1-4H3
InChIKeyQNHVAYNYSTZTLG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.90
Rot. Bonds7

About 3-amino-3-ethyl-8-methylnonan-4-one

3-amino-3-ethyl-8-methylnonan-4-one (PubChem CID 116592714) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-amino-3-ethyl-8-methylnonan-4-one.

Molecular Properties

Compound Name3-amino-3-ethyl-8-methylnonan-4-one
PubChem CID116592714
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-amino-3-ethyl-8-methylnonan-4-one
SMILESCCC(N)(CC)C(=O)CCCC(C)C
InChIInChI=1S/C12H25NO/c1-5-12(13,6-2)11(14)9-7-8-10(3)4/h10H,5-9,13H2,1-4H3
InChIKeyQNHVAYNYSTZTLG-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-5-ethyl-2-methylheptan-4-one
CID 116592612
1-amino-2,2,7-trimethyloctan-3-one
CID 116600063
2-amino-2,6-dimethylheptan-3-one
CID 116560063
ethane;7-methyloctan-3-one
CID 142816942
2,3,3,10-tetramethylundecan-4-one
CID 161336614
2-methylundecan-6-one
CID 86122551
amino 5-methylhexanoate
CID 18970778
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
2,2-bis(6-methylheptanoyloxymethyl)butyl 6-methylheptanoate
CID 87353288
3-amino-9-methyldecan-5-one
CID 116609077
2,6-dimethylheptane;2,7-dimethyloctan-3-one
CID 161345057
6-methyl-2-oxoheptanoate
CID 152759081

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethyl-8-methylnonan-4-one?
The IUPAC name of 3-amino-3-ethyl-8-methylnonan-4-one (CID 116592714) is 3-amino-3-ethyl-8-methylnonan-4-one.
What is the SMILES notation for 3-amino-3-ethyl-8-methylnonan-4-one?
The canonical SMILES for 3-amino-3-ethyl-8-methylnonan-4-one is CCC(N)(CC)C(=O)CCCC(C)C.
What is the InChIKey of 3-amino-3-ethyl-8-methylnonan-4-one?
The InChIKey is QNHVAYNYSTZTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-12(13,6-2)11(14)9-7-8-10(3)4/h10H,5-9,13H2,1-4H3.
What are the key properties of 3-amino-3-ethyl-8-methylnonan-4-one?
3-amino-3-ethyl-8-methylnonan-4-one has a molecular weight of 199.34 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethyl-8-methylnonan-4-one is sourced from PubChem (CID 116592714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).