2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine

C16H23N — CID 76756674

IUPAC2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine
SMILESC=CC1=C(C=CN(C)C)CC(=CC)C(C=C)C1
InChIInChI=1S/C16H23N/c1-6-13-11-15(8-3)16(9-10-17(4)5)12-14(13)7-2/h6-10,13H,1,3,11-12H2,2,4-5H3
InChIKeyBFPZXFLMBDVGLQ-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.09
Rot. Bonds4

About 2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine

2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine (PubChem CID 76756674) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine.

Molecular Properties

Compound Name2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine
PubChem CID76756674
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine
SMILESC=CC1=C(C=CN(C)C)CC(=CC)C(C=C)C1
InChIInChI=1S/C16H23N/c1-6-13-11-15(8-3)16(9-10-17(4)5)12-14(13)7-2/h6-10,13H,1,3,11-12H2,2,4-5H3
InChIKeyBFPZXFLMBDVGLQ-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.09
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

(Z,5Z)-5-ethylidene-N-(1-fluoroethyl)-N,6,6-trimethyl-3,4-dimethylideneoct-1-en-1-amine
CID 156099716
N,N-diethyl-3,7-dimethylocta-1,3-dienylamine
CID 85860019
(1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine
CID 14543743
N,N,3,7,11-pentamethyldodeca-2,4,10-trien-1-amine
CID 53692619
N,N,3,7-tetramethylocta-1,3-dien-1-amine
CID 53702615
2-(2-ethyl-3,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine
CID 56991844
4-cyclohexyl-1-ethyl-2H-pyridine
CID 57026355
2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine
CID 57039076
2-(2-ethyl-6,6-dimethylcyclohexen-1-yl)-N,N-dimethylethenamine
CID 57073015
N,N-dimethyl-2-(2,3,6,6-tetramethylcyclohexen-1-yl)ethenamine
CID 57108305
N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine
CID 57117640
2-(2-ethyl-5,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine
CID 57143316

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine?
The IUPAC name of 2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine (CID 76756674) is 2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine.
What is the SMILES notation for 2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine?
The canonical SMILES for 2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine is C=CC1=C(C=CN(C)C)CC(=CC)C(C=C)C1.
What is the InChIKey of 2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine?
The InChIKey is BFPZXFLMBDVGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-6-13-11-15(8-3)16(9-10-17(4)5)12-14(13)7-2/h6-10,13H,1,3,11-12H2,2,4-5H3.
What are the key properties of 2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine?
2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine has a molecular weight of 229.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine is sourced from PubChem (CID 76756674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).