(4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine

C19H33N — CID 71119975

IUPAC(4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine
SMILESCC1=C(/C=C\C2C(C)CC2C)C(C)(C)[C@H](C)CCN1C
InChIInChI=1S/C19H33N/c1-13-12-14(2)17(13)8-9-18-16(4)20(7)11-10-15(3)19(18,5)6/h8-9,13-15,17H,10-12H2,1-7H3/b9-8-/t13?,14?,15-,17?/m1/s1
InChIKeyGYNPSJAMEIIQLF-PFHHJSNVSA-N
MW275.48 g/mol
LogP5.11
Rot. Bonds2

About (4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine

(4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine (PubChem CID 71119975) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is (4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name(4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine
PubChem CID71119975
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name(4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine
SMILESCC1=C(/C=C\C2C(C)CC2C)C(C)(C)[C@H](C)CCN1C
InChIInChI=1S/C19H33N/c1-13-12-14(2)17(13)8-9-18-16(4)20(7)11-10-15(3)19(18,5)6/h8-9,13-15,17H,10-12H2,1-7H3/b9-8-/t13?,14?,15-,17?/m1/s1
InChIKeyGYNPSJAMEIIQLF-PFHHJSNVSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine with MolForge

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Related Compounds

(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-cyclohexa-2,4-dien-1-yl-2,3-dimethyl-N-(2-methylpropyl)-N-prop-1-en-2-ylbutan-1-amine
CID 68302544
7,7,12,13-Tetramethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene
CID 71119968
6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine
CID 71119973
3,7,7,12,13-Pentamethyl-3-azatricyclo[9.1.1.02,8]trideca-2(8),9-diene
CID 71119974
(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
6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine
CID 71119979
7-(2,4-dimethylcyclobutyl)-5,5-dimethyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydroazepine
CID 71119984
7-(2,4-dimethylpentyl)-1,5,5-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-azepine
CID 71119988
7-(2,4-dimethylpentyl)-5,5-dimethyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydroazepine
CID 71119992

Frequently Asked Questions

What is the IUPAC name of (4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine?
The IUPAC name of (4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine (CID 71119975) is (4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine.
What is the SMILES notation for (4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine?
The canonical SMILES for (4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine is CC1=C(/C=C\C2C(C)CC2C)C(C)(C)[C@H](C)CCN1C.
What is the InChIKey of (4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine?
The InChIKey is GYNPSJAMEIIQLF-PFHHJSNVSA-N. The full InChI is InChI=1S/C19H33N/c1-13-12-14(2)17(13)8-9-18-16(4)20(7)11-10-15(3)19(18,5)6/h8-9,13-15,17H,10-12H2,1-7H3/b9-8-/t13?,14?,15-,17?/m1/s1.
What are the key properties of (4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine?
(4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine has a molecular weight of 275.48 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine is sourced from PubChem (CID 71119975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).