1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one

C14H25NO — CID 123726120

IUPAC1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one
SMILESCC(=O)C/C1=N\CCC(C)C(C)CCCC1
InChIInChI=1S/C14H25NO/c1-11-6-4-5-7-14(10-13(3)16)15-9-8-12(11)2/h11-12H,4-10H2,1-3H3/b15-14-
InChIKeyLJGPNCKXBWYBPL-PFONDFGASA-N
MW223.36 g/mol
LogP3.64
Rot. Bonds2

About 1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one

1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one (PubChem CID 123726120) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one.

Molecular Properties

Compound Name1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one
PubChem CID123726120
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one
SMILESCC(=O)C/C1=N\CCC(C)C(C)CCCC1
InChIInChI=1S/C14H25NO/c1-11-6-4-5-7-14(10-13(3)16)15-9-8-12(11)2/h11-12H,4-10H2,1-3H3/b15-14-
InChIKeyLJGPNCKXBWYBPL-PFONDFGASA-N
XLogP3.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-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-(Azacyclotridec-1-EN-2-YL)-1-cyclohexanone
CID 4096510
7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one
CID 91252181
1-[(3aR,4R)-3,3a,4,5,6,7-hexahydro-2H-indol-4-yl]propan-2-one
CID 135075822
1-(4a-fluoro-4,5,6,7,8,8a-hexahydro-3H-isoquinolin-1-yl)-2,2-dimethylpropan-1-one
CID 10776396
N-(2-Acetylcyclohexylidene)cyclohexylamine
CID 539371
2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
CID 566018
3,4,4a,6,7,8-hexahydro-2H-quinolin-5-one
CID 54012177
7,7-Dimethyl-2,3,4,4a,6,8-hexahydroquinolin-5-one
CID 54017108
1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone
CID 54291385
1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
CID 54399934
Bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone
CID 54498059
2-Methyl-1-(2,3,4,5-tetrahydropyridin-6-yl)propan-1-one
CID 57329290

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one?
The IUPAC name of 1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one (CID 123726120) is 1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one.
What is the SMILES notation for 1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one?
The canonical SMILES for 1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one is CC(=O)C/C1=N\CCC(C)C(C)CCCC1.
What is the InChIKey of 1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one?
The InChIKey is LJGPNCKXBWYBPL-PFONDFGASA-N. The full InChI is InChI=1S/C14H25NO/c1-11-6-4-5-7-14(10-13(3)16)15-9-8-12(11)2/h11-12H,4-10H2,1-3H3/b15-14-.
What are the key properties of 1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one?
1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one has a molecular weight of 223.36 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one is sourced from PubChem (CID 123726120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).