4-ethenyl-N,6,6-trimethylazepin-3-amine

C11H16N2 — CID 143260189

IUPAC4-ethenyl-N,6,6-trimethylazepin-3-amine
SMILESC=CC1=CC(C)(C)C=NC=C1NC
InChIInChI=1S/C11H16N2/c1-5-9-6-11(2,3)8-13-7-10(9)12-4/h5-8,12H,1H2,2-4H3
InChIKeyCVEZMIPESISBNP-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.27
Rot. Bonds2

About 4-ethenyl-N,6,6-trimethylazepin-3-amine

4-ethenyl-N,6,6-trimethylazepin-3-amine (PubChem CID 143260189) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-ethenyl-N,6,6-trimethylazepin-3-amine.

Molecular Properties

Compound Name4-ethenyl-N,6,6-trimethylazepin-3-amine
PubChem CID143260189
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-ethenyl-N,6,6-trimethylazepin-3-amine
SMILESC=CC1=CC(C)(C)C=NC=C1NC
InChIInChI=1S/C11H16N2/c1-5-9-6-11(2,3)8-13-7-10(9)12-4/h5-8,12H,1H2,2-4H3
InChIKeyCVEZMIPESISBNP-UHFFFAOYSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N,6,6-trimethylazepin-3-amine?
The IUPAC name of 4-ethenyl-N,6,6-trimethylazepin-3-amine (CID 143260189) is 4-ethenyl-N,6,6-trimethylazepin-3-amine.
What is the SMILES notation for 4-ethenyl-N,6,6-trimethylazepin-3-amine?
The canonical SMILES for 4-ethenyl-N,6,6-trimethylazepin-3-amine is C=CC1=CC(C)(C)C=NC=C1NC.
What is the InChIKey of 4-ethenyl-N,6,6-trimethylazepin-3-amine?
The InChIKey is CVEZMIPESISBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-9-6-11(2,3)8-13-7-10(9)12-4/h5-8,12H,1H2,2-4H3.
What are the key properties of 4-ethenyl-N,6,6-trimethylazepin-3-amine?
4-ethenyl-N,6,6-trimethylazepin-3-amine has a molecular weight of 176.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,6,6-trimethylazepin-3-amine is sourced from PubChem (CID 143260189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).