4-(aminomethyl)-2,7-dimethylnonan-5-one

C12H25NO — CID 116597857

IUPAC4-(aminomethyl)-2,7-dimethylnonan-5-one
SMILESCCC(C)CC(=O)C(CN)CC(C)C
InChIInChI=1S/C12H25NO/c1-5-10(4)7-12(14)11(8-13)6-9(2)3/h9-11H,5-8,13H2,1-4H3
InChIKeyIUMHRIMSKRLSFN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.61
Rot. Bonds7

About 4-(aminomethyl)-2,7-dimethylnonan-5-one

4-(aminomethyl)-2,7-dimethylnonan-5-one (PubChem CID 116597857) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(aminomethyl)-2,7-dimethylnonan-5-one.

Molecular Properties

Compound Name4-(aminomethyl)-2,7-dimethylnonan-5-one
PubChem CID116597857
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(aminomethyl)-2,7-dimethylnonan-5-one
SMILESCCC(C)CC(=O)C(CN)CC(C)C
InChIInChI=1S/C12H25NO/c1-5-10(4)7-12(14)11(8-13)6-9(2)3/h9-11H,5-8,13H2,1-4H3
InChIKeyIUMHRIMSKRLSFN-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

Analyze 4-(aminomethyl)-2,7-dimethylnonan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(aminomethyl)-3,9-dimethyldecan-5-one
CID 116576821
5-(aminomethyl)-7-methyloct-1-yn-4-one
CID 116597798
ethyl 2-(aminomethyl)-4-methylpentanoate
CID 16641205
ethyl (2S)-2-(aminomethyl)-4-methylpentanoate
CID 94397761
4-amino-3,7-dimethylnonan-5-one
CID 116552681
2-(aminomethyl)-N,4-dimethylhexanamide
CID 62313426
8-ethyl-5,10-dimethyldodecane-3,7-dione
CID 123280162
(2R,5R)-2-(aminomethyl)-5-methylheptanoic acid
CID 142755438
4-(aminomethyl)-2,6-dimethylhept-1-en-3-one
CID 116597908
6-amino-3-methylnonan-5-one
CID 116554552
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide
CID 113410027
2-(aminomethyl)-4-methyl-N-propylhexanamide
CID 62313782

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,7-dimethylnonan-5-one?
The IUPAC name of 4-(aminomethyl)-2,7-dimethylnonan-5-one (CID 116597857) is 4-(aminomethyl)-2,7-dimethylnonan-5-one.
What is the SMILES notation for 4-(aminomethyl)-2,7-dimethylnonan-5-one?
The canonical SMILES for 4-(aminomethyl)-2,7-dimethylnonan-5-one is CCC(C)CC(=O)C(CN)CC(C)C.
What is the InChIKey of 4-(aminomethyl)-2,7-dimethylnonan-5-one?
The InChIKey is IUMHRIMSKRLSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-10(4)7-12(14)11(8-13)6-9(2)3/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 4-(aminomethyl)-2,7-dimethylnonan-5-one?
4-(aminomethyl)-2,7-dimethylnonan-5-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 4-(aminomethyl)-2,7-dimethylnonan-5-one is sourced from PubChem (CID 116597857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).