4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene

C16H27N — CID 143782115

IUPAC4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene
SMILESC=CC.C=CC1=C(C)CCC12CCN(C)CC2
InChIInChI=1S/C13H21N.C3H6/c1-4-12-11(2)5-6-13(12)7-9-14(3)10-8-13;1-3-2/h4H,1,5-10H2,2-3H3;3H,1H2,2H3
InChIKeyKTPSBYNQRDPIFI-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.19
Rot. Bonds1

About 4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene

4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene (PubChem CID 143782115) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene.

Molecular Properties

Compound Name4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene
PubChem CID143782115
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene
SMILESC=CC.C=CC1=C(C)CCC12CCN(C)CC2
InChIInChI=1S/C13H21N.C3H6/c1-4-12-11(2)5-6-13(12)7-9-14(3)10-8-13;1-3-2/h4H,1,5-10H2,2-3H3;3H,1H2,2H3
InChIKeyKTPSBYNQRDPIFI-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.19
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

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
4-(2-Fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine
CID 130238797
(9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane
CID 130371386
(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
4-[3-(4-Fluorocyclohexa-1,5-dien-1-yl)-2,3-dimethylbutan-2-yl]-1-methylpiperidine
CID 169637028
(2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
CID 177161653
11-Methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene
CID 10559562
2-Methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene
CID 10725931
4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine
CID 143402894

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene?
The IUPAC name of 4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene (CID 143782115) is 4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene.
What is the SMILES notation for 4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene?
The canonical SMILES for 4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene is C=CC.C=CC1=C(C)CCC12CCN(C)CC2.
What is the InChIKey of 4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene?
The InChIKey is KTPSBYNQRDPIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.C3H6/c1-4-12-11(2)5-6-13(12)7-9-14(3)10-8-13;1-3-2/h4H,1,5-10H2,2-3H3;3H,1H2,2H3.
What are the key properties of 4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene?
4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene has a molecular weight of 233.40 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3,8-dimethyl-8-azaspiro[4.5]dec-3-ene;prop-1-ene is sourced from PubChem (CID 143782115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).