6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine

C17H27N — CID 71120005

IUPAC6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine
SMILESCC1=CCCN(C)C(C)=C1/C=C\C1C(C)CC1C
InChIInChI=1S/C17H27N/c1-12-7-6-10-18(5)15(4)17(12)9-8-16-13(2)11-14(16)3/h7-9,13-14,16H,6,10-11H2,1-5H3/b9-8-
InChIKeyPMOJEBHMPDUDBZ-HJWRWDBZSA-N
MW245.41 g/mol
LogP4.39
Rot. Bonds2

About 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine

6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine (PubChem CID 71120005) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine.

Molecular Properties

Compound Name6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine
PubChem CID71120005
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine
SMILESCC1=CCCN(C)C(C)=C1/C=C\C1C(C)CC1C
InChIInChI=1S/C17H27N/c1-12-7-6-10-18(5)15(4)17(12)9-8-16-13(2)11-14(16)3/h7-9,13-14,16H,6,10-11H2,1-5H3/b9-8-
InChIKeyPMOJEBHMPDUDBZ-HJWRWDBZSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine?
The IUPAC name of 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine (CID 71120005) is 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine.
What is the SMILES notation for 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine?
The canonical SMILES for 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine is CC1=CCCN(C)C(C)=C1/C=C\C1C(C)CC1C.
What is the InChIKey of 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine?
The InChIKey is PMOJEBHMPDUDBZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H27N/c1-12-7-6-10-18(5)15(4)17(12)9-8-16-13(2)11-14(16)3/h7-9,13-14,16H,6,10-11H2,1-5H3/b9-8-.
What are the key properties of 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine?
6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine has a molecular weight of 245.41 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-1,5,7-trimethyl-2,3-dihydroazepine is sourced from PubChem (CID 71120005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).