1-amino-7-ethyl-2-methylnonan-5-one

C12H25NO — CID 116607621

IUPAC1-amino-7-ethyl-2-methylnonan-5-one
SMILESCCC(CC)CC(=O)CCC(C)CN
InChIInChI=1S/C12H25NO/c1-4-11(5-2)8-12(14)7-6-10(3)9-13/h10-11H,4-9,13H2,1-3H3
InChIKeyUGTYIYRTOHZTGL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.76
Rot. Bonds8

About 1-amino-7-ethyl-2-methylnonan-5-one

1-amino-7-ethyl-2-methylnonan-5-one (PubChem CID 116607621) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-amino-7-ethyl-2-methylnonan-5-one.

Molecular Properties

Compound Name1-amino-7-ethyl-2-methylnonan-5-one
PubChem CID116607621
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-amino-7-ethyl-2-methylnonan-5-one
SMILESCCC(CC)CC(=O)CCC(C)CN
InChIInChI=1S/C12H25NO/c1-4-11(5-2)8-12(14)7-6-10(3)9-13/h10-11H,4-9,13H2,1-3H3
InChIKeyUGTYIYRTOHZTGL-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-methyltetradecan-5-one
CID 116607429
11-amino-3-ethylundecan-5-one
CID 116551553
5-amino-N-ethyl-N-(2-ethylbutyl)-4-methylpentanamide
CID 82011557
8-(2-aminoethyl)-3-methylundecan-5-one
CID 116582800
7-(aminomethyl)-2,2-dimethylnonan-5-one
CID 116596157
5-(aminomethyl)-1-ethylsulfonylheptan-3-one
CID 106736726
5-(aminomethyl)-1-methylsulfonylheptan-3-one
CID 116596376
4-(2-aminoethyl)-9-ethyltridecan-7-one
CID 116582753
6-ethyl-2-methyloctan-1-amine
CID 169188535
6-(aminomethyl)-1-ethylsulfonyloctan-4-one
CID 116596279
(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid
CID 82689262
3-[[(5-amino-4-methylpentanoyl)amino]methyl]-5-methyloctanoic acid
CID 87608644

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-ethyl-2-methylnonan-5-one?
The IUPAC name of 1-amino-7-ethyl-2-methylnonan-5-one (CID 116607621) is 1-amino-7-ethyl-2-methylnonan-5-one.
What is the SMILES notation for 1-amino-7-ethyl-2-methylnonan-5-one?
The canonical SMILES for 1-amino-7-ethyl-2-methylnonan-5-one is CCC(CC)CC(=O)CCC(C)CN.
What is the InChIKey of 1-amino-7-ethyl-2-methylnonan-5-one?
The InChIKey is UGTYIYRTOHZTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-11(5-2)8-12(14)7-6-10(3)9-13/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 1-amino-7-ethyl-2-methylnonan-5-one?
1-amino-7-ethyl-2-methylnonan-5-one has a molecular weight of 199.34 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-ethyl-2-methylnonan-5-one is sourced from PubChem (CID 116607621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).