6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane

C16H29N — CID 145279052

IUPAC6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane
SMILESC=CC1=C(C=C)N(C)CCC(C)(C)C1C.CC
InChIInChI=1S/C14H23N.C2H6/c1-7-12-11(3)14(4,5)9-10-15(6)13(12)8-2;1-2/h7-8,11H,1-2,9-10H2,3-6H3;1-2H3
InChIKeyCOQWFYCZPGVREZ-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.64
Rot. Bonds2

About 6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane

6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane (PubChem CID 145279052) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane.

Molecular Properties

Compound Name6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane
PubChem CID145279052
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane
SMILESC=CC1=C(C=C)N(C)CCC(C)(C)C1C.CC
InChIInChI=1S/C14H23N.C2H6/c1-7-12-11(3)14(4,5)9-10-15(6)13(12)8-2;1-2/h7-8,11H,1-2,9-10H2,3-6H3;1-2H3
InChIKeyCOQWFYCZPGVREZ-UHFFFAOYSA-N
XLogP4.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-ethenyl-2-(3-fluoropentyl)-3-propylheptyl]-4-ethyl-N,3,5-trimethylcyclohexa-1,2,5-trien-1-amine
CID 123490671
(3Z,6Z)-N-[(4,4-dimethylcyclohex-2-en-1-yl)methyl]-N-ethyl-3-[(Z)-1-fluoro-3-methyl-2-methylidenepent-3-enylidene]-4-methylnona-1,6,8-trien-2-amine
CID 132124064
3,4-Ditert-butyl-1-propyl-2,3,4,7-tetrahydroazepine
CID 59036730
1-methyl-7-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3,4,5-tetrahydroazepine
CID 59390118
3-cyclohexa-2,4-dien-1-yl-2,3-dimethyl-N-(2-methylpropyl)-N-prop-1-en-2-ylbutan-1-amine
CID 68302544
1-methyl-7-[(1R,5R)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3,4,5-tetrahydroazepine
CID 70864683
(2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole
CID 71108314
3,7,7,12,13-Pentamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene
CID 71119974
(4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine
CID 71119975
(4R)-1,4,5,5,7-pentamethyl-6-[(Z)-4-methylhept-1-enyl]-3,4-dihydro-2H-azepine
CID 71119976
3,6,7,7,12,13-Hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene
CID 71119977
(6R)-3,6,7,7,12,13-hexamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene
CID 71119978

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane?
The IUPAC name of 6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane (CID 145279052) is 6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane.
What is the SMILES notation for 6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane?
The canonical SMILES for 6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane is C=CC1=C(C=C)N(C)CCC(C)(C)C1C.CC.
What is the InChIKey of 6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane?
The InChIKey is COQWFYCZPGVREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.C2H6/c1-7-12-11(3)14(4,5)9-10-15(6)13(12)8-2;1-2/h7-8,11H,1-2,9-10H2,3-6H3;1-2H3.
What are the key properties of 6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane?
6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane has a molecular weight of 235.41 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(ethenyl)-1,4,4,5-tetramethyl-3,5-dihydro-2H-azepine;ethane is sourced from PubChem (CID 145279052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).