6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine

C18H33N — CID 71119998

IUPAC6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine
SMILESCC1=C(/C=C\CC(C)CC(C)C)C(C)(C)CCCN1
InChIInChI=1S/C18H33N/c1-14(2)13-15(3)9-7-10-17-16(4)19-12-8-11-18(17,5)6/h7,10,14-15,19H,8-9,11-13H2,1-6H3/b10-7-
InChIKeyQDYJUXIODYSEDB-YFHOEESVSA-N
MW263.47 g/mol
LogP5.30
Rot. Bonds5

About 6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine

6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine (PubChem CID 71119998) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine.

Molecular Properties

Compound Name6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine
PubChem CID71119998
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine
SMILESCC1=C(/C=C\CC(C)CC(C)C)C(C)(C)CCCN1
InChIInChI=1S/C18H33N/c1-14(2)13-15(3)9-7-10-17-16(4)19-12-8-11-18(17,5)6/h7,10,14-15,19H,8-9,11-13H2,1-6H3/b10-7-
InChIKeyQDYJUXIODYSEDB-YFHOEESVSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine?
The IUPAC name of 6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine (CID 71119998) is 6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine.
What is the SMILES notation for 6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine?
The canonical SMILES for 6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine is CC1=C(/C=C\CC(C)CC(C)C)C(C)(C)CCCN1.
What is the InChIKey of 6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine?
The InChIKey is QDYJUXIODYSEDB-YFHOEESVSA-N. The full InChI is InChI=1S/C18H33N/c1-14(2)13-15(3)9-7-10-17-16(4)19-12-8-11-18(17,5)6/h7,10,14-15,19H,8-9,11-13H2,1-6H3/b10-7-.
What are the key properties of 6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine?
6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine has a molecular weight of 263.47 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine is sourced from PubChem (CID 71119998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).