6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one

C17H31NO — CID 104691903

IUPAC6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCCC1CCCCCN1CC1CCCC(C)(C)C1=O
InChIInChI=1S/C17H31NO/c1-4-15-10-6-5-7-12-18(15)13-14-9-8-11-17(2,3)16(14)19/h14-15H,4-13H2,1-3H3
InChIKeyKTSPGEPKDYSGCB-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds3

About 6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one

6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one (PubChem CID 104691903) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
PubChem CID104691903
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCCC1CCCCCN1CC1CCCC(C)(C)C1=O
InChIInChI=1S/C17H31NO/c1-4-15-10-6-5-7-12-18(15)13-14-9-8-11-17(2,3)16(14)19/h14-15H,4-13H2,1-3H3
InChIKeyKTSPGEPKDYSGCB-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 83062606
2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one
CID 104691901
6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79853340
6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79852279
6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79852625
6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79852371
2-[(2-ethylazepan-1-yl)methyl]-4-methylcyclohexan-1-one
CID 104691871
2,2-dimethyl-5-(piperidin-1-ylmethyl)cyclopentan-1-one
CID 79866261
6-[(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 81098024
5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 104692099
2-[(2-ethylpiperidin-1-yl)methyl]-2-methylcyclopentan-1-amine
CID 82767473
6-[(3-hydroxyazetidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 130892360

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one (CID 104691903) is 6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one is CCC1CCCCCN1CC1CCCC(C)(C)C1=O.
What is the InChIKey of 6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The InChIKey is KTSPGEPKDYSGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-15-10-6-5-7-12-18(15)13-14-9-8-11-17(2,3)16(14)19/h14-15H,4-13H2,1-3H3.
What are the key properties of 6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one has a molecular weight of 265.44 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 104691903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).