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

C16H23N — CID 58312541

IUPAC(E)-2-[(5Z)-2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine
SMILESC=CC1=C(/C=C/N(C)C)C/C(=C/C)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/b10-9+,14-7-
InChIKeyBFPZXFLMBDVGLQ-IXISGIECSA-N
MW229.37 g/mol
LogP4.09
Rot. Bonds4

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

(E)-2-[(5Z)-2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine (PubChem CID 58312541) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (E)-2-[(5Z)-2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-[(5Z)-2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine
PubChem CID58312541
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(E)-2-[(5Z)-2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine
SMILESC=CC1=C(/C=C/N(C)C)C/C(=C/C)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/b10-9+,14-7-
InChIKeyBFPZXFLMBDVGLQ-IXISGIECSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(5Z)-2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine?
The IUPAC name of (E)-2-[(5Z)-2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine (CID 58312541) is (E)-2-[(5Z)-2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-[(5Z)-2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-[(5Z)-2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine is C=CC1=C(/C=C/N(C)C)C/C(=C/C)C(C=C)C1.
What is the InChIKey of (E)-2-[(5Z)-2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine?
The InChIKey is BFPZXFLMBDVGLQ-IXISGIECSA-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/b10-9+,14-7-.
What are the key properties of (E)-2-[(5Z)-2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine?
(E)-2-[(5Z)-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 (E)-2-[(5Z)-2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine is sourced from PubChem (CID 58312541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).