1-amino-3,3,10-trimethylundecan-6-one

C14H29NO — CID 116574855

IUPAC1-amino-3,3,10-trimethylundecan-6-one
SMILESCC(C)CCCC(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H29NO/c1-12(2)6-5-7-13(16)8-9-14(3,4)10-11-15/h12H,5-11,15H2,1-4H3
InChIKeyKMFKFSBQLHUPIZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.54
Rot. Bonds9

About 1-amino-3,3,10-trimethylundecan-6-one

1-amino-3,3,10-trimethylundecan-6-one (PubChem CID 116574855) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-amino-3,3,10-trimethylundecan-6-one.

Molecular Properties

Compound Name1-amino-3,3,10-trimethylundecan-6-one
PubChem CID116574855
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-amino-3,3,10-trimethylundecan-6-one
SMILESCC(C)CCCC(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H29NO/c1-12(2)6-5-7-13(16)8-9-14(3,4)10-11-15/h12H,5-11,15H2,1-4H3
InChIKeyKMFKFSBQLHUPIZ-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 1-amino-3,3,10-trimethylundecan-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-8,8-dimethyldecan-5-one
CID 116574751
6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide
CID 65292309
2,16-dimethylheptadecan-6-one
CID 158111781
9-amino-7,7-dimethyl-1-phenylnonan-4-one
CID 116574757
8-methyl-1-(methylamino)nonan-4-one
CID 116555639
9-amino-2,2-dimethyldecan-5-one
CID 116610021
1-hydroxy-8-methylnonan-4-one
CID 87402189
2-methylundecan-6-one
CID 86122551
1-amino-2,2,7-trimethyloctan-3-one
CID 116600063
6-methyl-1-[(2-methylpropan-2-yl)oxy]heptan-2-one
CID 105125614
(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid
CID 65291208
6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4,4-dimethylhexanamide
CID 65290403

Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3,10-trimethylundecan-6-one?
The IUPAC name of 1-amino-3,3,10-trimethylundecan-6-one (CID 116574855) is 1-amino-3,3,10-trimethylundecan-6-one.
What is the SMILES notation for 1-amino-3,3,10-trimethylundecan-6-one?
The canonical SMILES for 1-amino-3,3,10-trimethylundecan-6-one is CC(C)CCCC(=O)CCC(C)(C)CCN.
What is the InChIKey of 1-amino-3,3,10-trimethylundecan-6-one?
The InChIKey is KMFKFSBQLHUPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)6-5-7-13(16)8-9-14(3,4)10-11-15/h12H,5-11,15H2,1-4H3.
What are the key properties of 1-amino-3,3,10-trimethylundecan-6-one?
1-amino-3,3,10-trimethylundecan-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 1-amino-3,3,10-trimethylundecan-6-one is sourced from PubChem (CID 116574855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).