(3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine

C12H17N — CID 89099110

IUPAC(3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine
SMILESC=C1/C=C\C=C/C/N=C(/C)C1(C)C
InChIInChI=1S/C12H17N/c1-10-8-6-5-7-9-13-11(2)12(10,3)4/h5-8H,1,9H2,2-4H3/b7-5-,8-6-,13-11-
InChIKeyWEUKPGGCYISLMG-CJGUMKJGSA-N
MW175.27 g/mol
LogP3.16
Rot. Bonds

About (3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine

(3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine (PubChem CID 89099110) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine.

Molecular Properties

Compound Name(3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine
PubChem CID89099110
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine
SMILESC=C1/C=C\C=C/C/N=C(/C)C1(C)C
InChIInChI=1S/C12H17N/c1-10-8-6-5-7-9-13-11(2)12(10,3)4/h5-8H,1,9H2,2-4H3/b7-5-,8-6-,13-11-
InChIKeyWEUKPGGCYISLMG-CJGUMKJGSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine?
The IUPAC name of (3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine (CID 89099110) is (3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine.
What is the SMILES notation for (3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine?
The canonical SMILES for (3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine is C=C1/C=C\C=C/C/N=C(/C)C1(C)C.
What is the InChIKey of (3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine?
The InChIKey is WEUKPGGCYISLMG-CJGUMKJGSA-N. The full InChI is InChI=1S/C12H17N/c1-10-8-6-5-7-9-13-11(2)12(10,3)4/h5-8H,1,9H2,2-4H3/b7-5-,8-6-,13-11-.
What are the key properties of (3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine?
(3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine has a molecular weight of 175.27 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 (3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine is sourced from PubChem (CID 89099110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).