1-methyl-2-azaspiro[5.5]undeca-1,9-diene

C11H17N — CID 154719804

IUPAC1-methyl-2-azaspiro[5.5]undeca-1,9-diene
SMILESCC1=NCCCC12CC=CCC2
InChIInChI=1S/C11H17N/c1-10-11(8-5-9-12-10)6-3-2-4-7-11/h2-3H,4-9H2,1H3
InChIKeyXBLDZRRUOKHRJD-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.97
Rot. Bonds

About 1-methyl-2-azaspiro[5.5]undeca-1,9-diene

1-methyl-2-azaspiro[5.5]undeca-1,9-diene (PubChem CID 154719804) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-methyl-2-azaspiro[5.5]undeca-1,9-diene.

Molecular Properties

Compound Name1-methyl-2-azaspiro[5.5]undeca-1,9-diene
PubChem CID154719804
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-methyl-2-azaspiro[5.5]undeca-1,9-diene
SMILESCC1=NCCCC12CC=CCC2
InChIInChI=1S/C11H17N/c1-10-11(8-5-9-12-10)6-3-2-4-7-11/h2-3H,4-9H2,1H3
InChIKeyXBLDZRRUOKHRJD-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine
CID 141295656
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
2-Azaspiro[5.5]undeca-1,8-diene
CID 11240575
6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 13272643
6-tert-butyl-5-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 20752812
(5E,9E)-2-[2-(1-propylcyclohexyl)ethyl]-1-azacyclododeca-1,5,9-triene
CID 22816624
7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline
CID 57030181
2,3,4,4a,5,8-Hexahydroquinoline
CID 57072516

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-azaspiro[5.5]undeca-1,9-diene?
The IUPAC name of 1-methyl-2-azaspiro[5.5]undeca-1,9-diene (CID 154719804) is 1-methyl-2-azaspiro[5.5]undeca-1,9-diene.
What is the SMILES notation for 1-methyl-2-azaspiro[5.5]undeca-1,9-diene?
The canonical SMILES for 1-methyl-2-azaspiro[5.5]undeca-1,9-diene is CC1=NCCCC12CC=CCC2.
What is the InChIKey of 1-methyl-2-azaspiro[5.5]undeca-1,9-diene?
The InChIKey is XBLDZRRUOKHRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-10-11(8-5-9-12-10)6-3-2-4-7-11/h2-3H,4-9H2,1H3.
What are the key properties of 1-methyl-2-azaspiro[5.5]undeca-1,9-diene?
1-methyl-2-azaspiro[5.5]undeca-1,9-diene has a molecular weight of 163.26 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-azaspiro[5.5]undeca-1,9-diene is sourced from PubChem (CID 154719804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).