11-amino-3-methylundecan-4-one

C12H25NO — CID 176580818

IUPAC11-amino-3-methylundecan-4-one
SMILESCCC(C)C(=O)CCCCCCCN
InChIInChI=1S/C12H25NO/c1-3-11(2)12(14)9-7-5-4-6-8-10-13/h11H,3-10,13H2,1-2H3
InChIKeyJKCCRECUBZFDCU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.90
Rot. Bonds9

About 11-amino-3-methylundecan-4-one

11-amino-3-methylundecan-4-one (PubChem CID 176580818) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 11-amino-3-methylundecan-4-one.

Molecular Properties

Compound Name11-amino-3-methylundecan-4-one
PubChem CID176580818
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name11-amino-3-methylundecan-4-one
SMILESCCC(C)C(=O)CCCCCCCN
InChIInChI=1S/C12H25NO/c1-3-11(2)12(14)9-7-5-4-6-8-10-13/h11H,3-10,13H2,1-2H3
InChIKeyJKCCRECUBZFDCU-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 11-amino-3-methylundecan-4-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

2,19-dimethylhenicosane-3,18-dione
CID 138498522
9-methylundecane-2,8-dione
CID 178033213
8-methyl-7-oxodecanoic acid
CID 121216549
15-(dimethylamino)-3-methylpentadecan-4-one
CID 143840613
10-amino-1-methoxy-3-methyldecan-4-one
CID 116551483
tert-butyl (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;tert-butyl (2S)-9-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxoundecanoate;2-methylbutanoic acid
CID 159899433
(4S)-4,23-diamino-2-methyltricosan-5-one
CID 150736114
butan-2-yl 7-aminoheptanoate
CID 60902438
1-amino-3-methylpentan-2-one;hydrochloride
CID 154878698
11-amino-3-ethylundecan-5-one
CID 116551553
1-amino-7-methylnonan-5-one
CID 116571906
14-aminotetradecan-3-one
CID 178176766

Frequently Asked Questions

What is the IUPAC name of 11-amino-3-methylundecan-4-one?
The IUPAC name of 11-amino-3-methylundecan-4-one (CID 176580818) is 11-amino-3-methylundecan-4-one.
What is the SMILES notation for 11-amino-3-methylundecan-4-one?
The canonical SMILES for 11-amino-3-methylundecan-4-one is CCC(C)C(=O)CCCCCCCN.
What is the InChIKey of 11-amino-3-methylundecan-4-one?
The InChIKey is JKCCRECUBZFDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-11(2)12(14)9-7-5-4-6-8-10-13/h11H,3-10,13H2,1-2H3.
What are the key properties of 11-amino-3-methylundecan-4-one?
11-amino-3-methylundecan-4-one has a molecular weight of 199.34 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-3-methylundecan-4-one is sourced from PubChem (CID 176580818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).