2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline

C12H21N — CID 91129363

IUPAC2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
SMILESC=C1CCCC2CC(C)C(C)NC12
InChIInChI=1S/C12H21N/c1-8-5-4-6-11-7-9(2)10(3)13-12(8)11/h9-13H,1,4-7H2,2-3H3
InChIKeyKIDJTPSXJWFCNP-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.73
Rot. Bonds

About 2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline

2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline (PubChem CID 91129363) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline.

Molecular Properties

Compound Name2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
PubChem CID91129363
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
SMILESC=C1CCCC2CC(C)C(C)NC12
InChIInChI=1S/C12H21N/c1-8-5-4-6-11-7-9(2)10(3)13-12(8)11/h9-13H,1,4-7H2,2-3H3
InChIKeyKIDJTPSXJWFCNP-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
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 2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
The IUPAC name of 2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline (CID 91129363) is 2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline.
What is the SMILES notation for 2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
The canonical SMILES for 2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline is C=C1CCCC2CC(C)C(C)NC12.
What is the InChIKey of 2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
The InChIKey is KIDJTPSXJWFCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8-5-4-6-11-7-9(2)10(3)13-12(8)11/h9-13H,1,4-7H2,2-3H3.
What are the key properties of 2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline has a molecular weight of 179.31 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline is sourced from PubChem (CID 91129363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).