11-amino-4,7-dimethyldodecan-6-one

C14H29NO — CID 116574232

IUPAC11-amino-4,7-dimethyldodecan-6-one
SMILESCCCC(C)CC(=O)C(C)CCCC(C)N
InChIInChI=1S/C14H29NO/c1-5-7-11(2)10-14(16)12(3)8-6-9-13(4)15/h11-13H,5-10,15H2,1-4H3
InChIKeyFMAOVWDCMYKJKP-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.54
Rot. Bonds9

About 11-amino-4,7-dimethyldodecan-6-one

11-amino-4,7-dimethyldodecan-6-one (PubChem CID 116574232) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 11-amino-4,7-dimethyldodecan-6-one.

Molecular Properties

Compound Name11-amino-4,7-dimethyldodecan-6-one
PubChem CID116574232
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name11-amino-4,7-dimethyldodecan-6-one
SMILESCCCC(C)CC(=O)C(C)CCCC(C)N
InChIInChI=1S/C14H29NO/c1-5-7-11(2)10-14(16)12(3)8-6-9-13(4)15/h11-13H,5-10,15H2,1-4H3
InChIKeyFMAOVWDCMYKJKP-UHFFFAOYSA-N
XLogP3.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 11-amino-4,7-dimethyldodecan-6-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

10-amino-6-methylundecan-5-one
CID 116574155
7-amino-4-methylundecan-6-one
CID 116556730
6-methylnonan-2-amine
CID 64502929
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
6-amino-2-methyl-N-propylheptanamide
CID 65292773
1,1-difluoro-4-methylheptan-2-one
CID 112574315
4-amino-1-methoxy-7-methyldecan-5-one
CID 116593750
2,5-dimethyloctan-4-one
CID 88817499
methyl 2,6,10-trimethyltridecanoate
CID 560276
6-amino-2-methyl-N-pentylheptanamide
CID 65292783
bis(hexan-2-amine);oxalic acid
CID 175216358
6-amino-3-methylnonan-5-one
CID 116554552

Frequently Asked Questions

What is the IUPAC name of 11-amino-4,7-dimethyldodecan-6-one?
The IUPAC name of 11-amino-4,7-dimethyldodecan-6-one (CID 116574232) is 11-amino-4,7-dimethyldodecan-6-one.
What is the SMILES notation for 11-amino-4,7-dimethyldodecan-6-one?
The canonical SMILES for 11-amino-4,7-dimethyldodecan-6-one is CCCC(C)CC(=O)C(C)CCCC(C)N.
What is the InChIKey of 11-amino-4,7-dimethyldodecan-6-one?
The InChIKey is FMAOVWDCMYKJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-7-11(2)10-14(16)12(3)8-6-9-13(4)15/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 11-amino-4,7-dimethyldodecan-6-one?
11-amino-4,7-dimethyldodecan-6-one has a molecular weight of 227.39 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-4,7-dimethyldodecan-6-one is sourced from PubChem (CID 116574232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).