12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine

C14H25N — CID 154721154

IUPAC12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine
SMILESC=C1CCN2CCCCCCCC2(C)C1
InChIInChI=1S/C14H25N/c1-13-8-11-15-10-7-5-3-4-6-9-14(15,2)12-13/h1,3-12H2,2H3
InChIKeyXGZMUXJHWQBYMN-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.75
Rot. Bonds

About 12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine

12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine (PubChem CID 154721154) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine.

Molecular Properties

Compound Name12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine
PubChem CID154721154
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine
SMILESC=C1CCN2CCCCCCCC2(C)C1
InChIInChI=1S/C14H25N/c1-13-8-11-15-10-7-5-3-4-6-9-14(15,2)12-13/h1,3-12H2,2H3
InChIKeyXGZMUXJHWQBYMN-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine?
The IUPAC name of 12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine (CID 154721154) is 12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine.
What is the SMILES notation for 12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine?
The canonical SMILES for 12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine is C=C1CCN2CCCCCCCC2(C)C1.
What is the InChIKey of 12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine?
The InChIKey is XGZMUXJHWQBYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-13-8-11-15-10-7-5-3-4-6-9-14(15,2)12-13/h1,3-12H2,2H3.
What are the key properties of 12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine?
12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine has a molecular weight of 207.36 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12a-methyl-2-methylidene-1,3,4,6,7,8,9,10,11,12-decahydropyrido[1,2-a]azonine is sourced from PubChem (CID 154721154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).