(6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine

C14H17N — CID 89070251

IUPAC(6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine
SMILESCC1=CCC(C)/C=c2/cc(C)cc/c2=N/1
InChIInChI=1S/C14H17N/c1-10-4-6-12(3)15-14-7-5-11(2)9-13(14)8-10/h5-10H,4H2,1-3H3/b12-6?,13-8-,15-14-
InChIKeyOWXMZPIUGBNHRQ-VISFLLNJSA-N
MW199.30 g/mol
LogP2.34
Rot. Bonds

About (6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine

(6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine (PubChem CID 89070251) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine.

Molecular Properties

Compound Name(6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine
PubChem CID89070251
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine
SMILESCC1=CCC(C)/C=c2/cc(C)cc/c2=N/1
InChIInChI=1S/C14H17N/c1-10-4-6-12(3)15-14-7-5-11(2)9-13(14)8-10/h5-10H,4H2,1-3H3/b12-6?,13-8-,15-14-
InChIKeyOWXMZPIUGBNHRQ-VISFLLNJSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine?
The IUPAC name of (6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine (CID 89070251) is (6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine.
What is the SMILES notation for (6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine?
The canonical SMILES for (6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine is CC1=CCC(C)/C=c2/cc(C)cc/c2=N/1.
What is the InChIKey of (6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine?
The InChIKey is OWXMZPIUGBNHRQ-VISFLLNJSA-N. The full InChI is InChI=1S/C14H17N/c1-10-4-6-12(3)15-14-7-5-11(2)9-13(14)8-10/h5-10H,4H2,1-3H3/b12-6?,13-8-,15-14-.
What are the key properties of (6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine?
(6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine has a molecular weight of 199.30 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine is sourced from PubChem (CID 89070251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).