6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine

C16H27N — CID 71119979

IUPAC6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine
SMILESCC1=C(/C=C\C2C(C)CC2C)C(C)CCCN1
InChIInChI=1S/C16H27N/c1-11-6-5-9-17-14(4)16(11)8-7-15-12(2)10-13(15)3/h7-8,11-13,15,17H,5-6,9-10H2,1-4H3/b8-7-
InChIKeyLRSRJZVFYMIWET-FPLPWBNLSA-N
MW233.40 g/mol
LogP4.13
Rot. Bonds2

About 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine

6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine (PubChem CID 71119979) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine.

Molecular Properties

Compound Name6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine
PubChem CID71119979
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine
SMILESCC1=C(/C=C\C2C(C)CC2C)C(C)CCCN1
InChIInChI=1S/C16H27N/c1-11-6-5-9-17-14(4)16(11)8-7-15-12(2)10-13(15)3/h7-8,11-13,15,17H,5-6,9-10H2,1-4H3/b8-7-
InChIKeyLRSRJZVFYMIWET-FPLPWBNLSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine?
The IUPAC name of 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine (CID 71119979) is 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine.
What is the SMILES notation for 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine?
The canonical SMILES for 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine is CC1=C(/C=C\C2C(C)CC2C)C(C)CCCN1.
What is the InChIKey of 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine?
The InChIKey is LRSRJZVFYMIWET-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H27N/c1-11-6-5-9-17-14(4)16(11)8-7-15-12(2)10-13(15)3/h7-8,11-13,15,17H,5-6,9-10H2,1-4H3/b8-7-.
What are the key properties of 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine?
6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine has a molecular weight of 233.40 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-5,7-dimethyl-2,3,4,5-tetrahydro-1H-azepine is sourced from PubChem (CID 71119979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).