1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine

C17H29N — CID 71119995

IUPAC1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine
SMILESCC1=C(/C=C\C2CCC2C)C(C)(C)CCCN1C
InChIInChI=1S/C17H29N/c1-13-7-8-15(13)9-10-16-14(2)18(5)12-6-11-17(16,3)4/h9-10,13,15H,6-8,11-12H2,1-5H3/b10-9-
InChIKeyZCNSOPNPVDYAAD-KTKRTIGZSA-N
MW247.43 g/mol
LogP4.61
Rot. Bonds2

About 1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine

1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine (PubChem CID 71119995) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine
PubChem CID71119995
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine
SMILESCC1=C(/C=C\C2CCC2C)C(C)(C)CCCN1C
InChIInChI=1S/C17H29N/c1-13-7-8-15(13)9-10-16-14(2)18(5)12-6-11-17(16,3)4/h9-10,13,15H,6-8,11-12H2,1-5H3/b10-9-
InChIKeyZCNSOPNPVDYAAD-KTKRTIGZSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine?
The IUPAC name of 1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine (CID 71119995) is 1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine.
What is the SMILES notation for 1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine?
The canonical SMILES for 1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine is CC1=C(/C=C\C2CCC2C)C(C)(C)CCCN1C.
What is the InChIKey of 1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine?
The InChIKey is ZCNSOPNPVDYAAD-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H29N/c1-13-7-8-15(13)9-10-16-14(2)18(5)12-6-11-17(16,3)4/h9-10,13,15H,6-8,11-12H2,1-5H3/b10-9-.
What are the key properties of 1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine?
1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine has a molecular weight of 247.43 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5,7-tetramethyl-6-[(Z)-2-(2-methylcyclobutyl)ethenyl]-3,4-dihydro-2H-azepine is sourced from PubChem (CID 71119995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).