5-ethyl-1,3,3-trimethylazepane

C11H23N — CID 155199677

IUPAC5-ethyl-1,3,3-trimethylazepane
SMILESCCC1CCN(C)CC(C)(C)C1
InChIInChI=1S/C11H23N/c1-5-10-6-7-12(4)9-11(2,3)8-10/h10H,5-9H2,1-4H3
InChIKeySOZKQVMOGDLSFC-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds1

About 5-ethyl-1,3,3-trimethylazepane

5-ethyl-1,3,3-trimethylazepane (PubChem CID 155199677) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 5-ethyl-1,3,3-trimethylazepane.

Molecular Properties

Compound Name5-ethyl-1,3,3-trimethylazepane
PubChem CID155199677
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name5-ethyl-1,3,3-trimethylazepane
SMILESCCC1CCN(C)CC(C)(C)C1
InChIInChI=1S/C11H23N/c1-5-10-6-7-12(4)9-11(2,3)8-10/h10H,5-9H2,1-4H3
InChIKeySOZKQVMOGDLSFC-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-1,3,3-trimethylazocane
CID 91139263
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
4-ethyl-1-methylpiperidine;formonitrile
CID 175849532
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
4-ethyl-1-methylpiperidine;methoxymethane
CID 90698783
(1,6,6-trimethylazepan-4-yl)borinothioic acid
CID 143641729
bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine
CID 161292212
ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine
CID 177009372
8-ethyl-2-methyl-5-oxa-2-azaspiro[3.5]nonane
CID 164867995
(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine
CID 178161394
6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium
CID 144835868
2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine
CID 123420598

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,3-trimethylazepane?
The IUPAC name of 5-ethyl-1,3,3-trimethylazepane (CID 155199677) is 5-ethyl-1,3,3-trimethylazepane.
What is the SMILES notation for 5-ethyl-1,3,3-trimethylazepane?
The canonical SMILES for 5-ethyl-1,3,3-trimethylazepane is CCC1CCN(C)CC(C)(C)C1.
What is the InChIKey of 5-ethyl-1,3,3-trimethylazepane?
The InChIKey is SOZKQVMOGDLSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-10-6-7-12(4)9-11(2,3)8-10/h10H,5-9H2,1-4H3.
What are the key properties of 5-ethyl-1,3,3-trimethylazepane?
5-ethyl-1,3,3-trimethylazepane has a molecular weight of 169.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,3-trimethylazepane is sourced from PubChem (CID 155199677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).