1-hex-2-en-2-yl-3,6-dimethylazepane

C14H27N — CID 166820191

IUPAC1-hex-2-en-2-yl-3,6-dimethylazepane
SMILESCCCC=C(C)N1CC(C)CCC(C)C1
InChIInChI=1S/C14H27N/c1-5-6-7-14(4)15-10-12(2)8-9-13(3)11-15/h7,12-13H,5-6,8-11H2,1-4H3
InChIKeyWQBVOAOFTISTAV-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.06
Rot. Bonds3

About 1-hex-2-en-2-yl-3,6-dimethylazepane

1-hex-2-en-2-yl-3,6-dimethylazepane (PubChem CID 166820191) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-hex-2-en-2-yl-3,6-dimethylazepane.

Molecular Properties

Compound Name1-hex-2-en-2-yl-3,6-dimethylazepane
PubChem CID166820191
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-hex-2-en-2-yl-3,6-dimethylazepane
SMILESCCCC=C(C)N1CC(C)CCC(C)C1
InChIInChI=1S/C14H27N/c1-5-6-7-14(4)15-10-12(2)8-9-13(3)11-15/h7,12-13H,5-6,8-11H2,1-4H3
InChIKeyWQBVOAOFTISTAV-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-methyl-1-prop-1-en-2-ylpyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 1-hex-2-en-2-yl-3,6-dimethylazepane?
The IUPAC name of 1-hex-2-en-2-yl-3,6-dimethylazepane (CID 166820191) is 1-hex-2-en-2-yl-3,6-dimethylazepane.
What is the SMILES notation for 1-hex-2-en-2-yl-3,6-dimethylazepane?
The canonical SMILES for 1-hex-2-en-2-yl-3,6-dimethylazepane is CCCC=C(C)N1CC(C)CCC(C)C1.
What is the InChIKey of 1-hex-2-en-2-yl-3,6-dimethylazepane?
The InChIKey is WQBVOAOFTISTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-6-7-14(4)15-10-12(2)8-9-13(3)11-15/h7,12-13H,5-6,8-11H2,1-4H3.
What are the key properties of 1-hex-2-en-2-yl-3,6-dimethylazepane?
1-hex-2-en-2-yl-3,6-dimethylazepane has a molecular weight of 209.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-2-en-2-yl-3,6-dimethylazepane is sourced from PubChem (CID 166820191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).