5-ethyl-1,3,3-trimethylazocane

C12H25N — CID 91139263

IUPAC5-ethyl-1,3,3-trimethylazocane
SMILESCCC1CCCN(C)CC(C)(C)C1
InChIInChI=1S/C12H25N/c1-5-11-7-6-8-13(4)10-12(2,3)9-11/h11H,5-10H2,1-4H3
InChIKeyBZQVXCJXPVIOHR-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds1

About 5-ethyl-1,3,3-trimethylazocane

5-ethyl-1,3,3-trimethylazocane (PubChem CID 91139263) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 5-ethyl-1,3,3-trimethylazocane.

Molecular Properties

Compound Name5-ethyl-1,3,3-trimethylazocane
PubChem CID91139263
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name5-ethyl-1,3,3-trimethylazocane
SMILESCCC1CCCN(C)CC(C)(C)C1
InChIInChI=1S/C12H25N/c1-5-11-7-6-8-13(4)10-12(2,3)9-11/h11H,5-10H2,1-4H3
InChIKeyBZQVXCJXPVIOHR-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-1,3,3-trimethylazepane
CID 155199677
ethane;3-ethyl-1-methylpiperidine
CID 142833851
1,3,3-trimethylazepane
CID 18711354
3-ethyl-1,5-dimethylazocane
CID 178124783
bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine
CID 161292212
(1,6,6-trimethylazepan-4-yl)borinothioic acid
CID 143641729
8-ethyl-2-methyl-5-oxa-2-azaspiro[3.5]nonane
CID 164867995
1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine
CID 66759552
N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane
CID 142888421
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine
CID 64953729
3-(cyclobutylmethyl)-1-methylpiperidin-3-amine
CID 84658746

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,3-trimethylazocane?
The IUPAC name of 5-ethyl-1,3,3-trimethylazocane (CID 91139263) is 5-ethyl-1,3,3-trimethylazocane.
What is the SMILES notation for 5-ethyl-1,3,3-trimethylazocane?
The canonical SMILES for 5-ethyl-1,3,3-trimethylazocane is CCC1CCCN(C)CC(C)(C)C1.
What is the InChIKey of 5-ethyl-1,3,3-trimethylazocane?
The InChIKey is BZQVXCJXPVIOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-11-7-6-8-13(4)10-12(2,3)9-11/h11H,5-10H2,1-4H3.
What are the key properties of 5-ethyl-1,3,3-trimethylazocane?
5-ethyl-1,3,3-trimethylazocane has a molecular weight of 183.34 g/mol, XLogP of 3.15, 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-trimethylazocane is sourced from PubChem (CID 91139263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).