7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane

C16H27N — CID 155394727

IUPAC7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane
SMILESC=C(/C=C/CN1CCC2(CCC2)CC1)C(C)C
InChIInChI=1S/C16H27N/c1-14(2)15(3)6-4-11-17-12-9-16(10-13-17)7-5-8-16/h4,6,14H,3,5,7-13H2,1-2H3/b6-4+
InChIKeyCBEPGVFTWSBMSM-GQCTYLIASA-N
MW233.40 g/mol
LogP4.02
Rot. Bonds4

About 7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane

7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane (PubChem CID 155394727) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane
PubChem CID155394727
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane
SMILESC=C(/C=C/CN1CCC2(CCC2)CC1)C(C)C
InChIInChI=1S/C16H27N/c1-14(2)15(3)6-4-11-17-12-9-16(10-13-17)7-5-8-16/h4,6,14H,3,5,7-13H2,1-2H3/b6-4+
InChIKeyCBEPGVFTWSBMSM-GQCTYLIASA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethenyl]-1-methyl-3,6-dihydro-2H-pyridine
CID 6492050
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
1-(8-Fluoro-4,5-dimethylnona-5,7-dienyl)piperidine
CID 123361404
4-[1-(4-Fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine
CID 129131717
(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
CID 134292242
1-(2-Fluoroethyl)-4-(4-propan-2-ylcyclohepta-1,3,5-trien-1-yl)piperidine
CID 155197837
(2S)-N,3-dimethyl-N-[2-[7-[(2Z)-4-methylpenta-2,4-dienyl]-7-azaspiro[3.5]nonan-2-yl]ethyl]-2-(trifluoromethyl)butan-1-amine
CID 166750649
4-[3-(4-Fluorocyclohexa-1,5-dien-1-yl)-2,3-dimethylbutan-2-yl]-1-methylpiperidine
CID 169637028
2-Methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene
CID 10725931
N-allyl-N-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]piperidinium bromide
CID 14634836
N-(3,6-dimethyl-2,7-octadienyl)piperidine
CID 86023805
4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine
CID 143402894

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane (CID 155394727) is 7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane is C=C(/C=C/CN1CCC2(CCC2)CC1)C(C)C.
What is the InChIKey of 7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane?
The InChIKey is CBEPGVFTWSBMSM-GQCTYLIASA-N. The full InChI is InChI=1S/C16H27N/c1-14(2)15(3)6-4-11-17-12-9-16(10-13-17)7-5-8-16/h4,6,14H,3,5,7-13H2,1-2H3/b6-4+.
What are the key properties of 7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane?
7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane has a molecular weight of 233.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-5-methyl-4-methylidenehex-2-enyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 155394727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).