(7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine

C14H21N — CID 14004190

IUPAC(7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine
SMILESCC1=CC2CN(C)CCCC/C=C\2C=C1
InChIInChI=1S/C14H21N/c1-12-7-8-13-6-4-3-5-9-15(2)11-14(13)10-12/h6-8,10,14H,3-5,9,11H2,1-2H3/b13-6-
InChIKeyFUFJDNHNCDPYSU-MLPAPPSSSA-N
MW203.33 g/mol
LogP3.16
Rot. Bonds

About (7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine

(7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine (PubChem CID 14004190) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine.

Molecular Properties

Compound Name(7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine
PubChem CID14004190
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine
SMILESCC1=CC2CN(C)CCCC/C=C\2C=C1
InChIInChI=1S/C14H21N/c1-12-7-8-13-6-4-3-5-9-15(2)11-14(13)10-12/h6-8,10,14H,3-5,9,11H2,1-2H3/b13-6-
InChIKeyFUFJDNHNCDPYSU-MLPAPPSSSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine?
The IUPAC name of (7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine (CID 14004190) is (7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine.
What is the SMILES notation for (7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine?
The canonical SMILES for (7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine is CC1=CC2CN(C)CCCC/C=C\2C=C1.
What is the InChIKey of (7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine?
The InChIKey is FUFJDNHNCDPYSU-MLPAPPSSSA-N. The full InChI is InChI=1S/C14H21N/c1-12-7-8-13-6-4-3-5-9-15(2)11-14(13)10-12/h6-8,10,14H,3-5,9,11H2,1-2H3/b13-6-.
What are the key properties of (7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine?
(7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine has a molecular weight of 203.33 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine is sourced from PubChem (CID 14004190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).