(2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine

C16H23N — CID 166776667

IUPAC(2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine
SMILES[H]/N=C(\C=C/C)C(=C/C)/C(C)=C\CC1=CCCC1
InChIInChI=1S/C16H23N/c1-4-8-16(17)15(5-2)13(3)11-12-14-9-6-7-10-14/h4-5,8-9,11,17H,6-7,10,12H2,1-3H3/b8-4-,13-11-,15-5+,17-16+
InChIKeyAQVMBAXOWQRESC-WCQQQSISSA-N
MW229.37 g/mol
LogP4.98
Rot. Bonds5

About (2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine

(2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine (PubChem CID 166776667) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine.

Molecular Properties

Compound Name(2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine
PubChem CID166776667
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine
SMILES[H]/N=C(\C=C/C)C(=C/C)/C(C)=C\CC1=CCCC1
InChIInChI=1S/C16H23N/c1-4-8-16(17)15(5-2)13(3)11-12-14-9-6-7-10-14/h4-5,8-9,11,17H,6-7,10,12H2,1-3H3/b8-4-,13-11-,15-5+,17-16+
InChIKeyAQVMBAXOWQRESC-WCQQQSISSA-N
XLogP4.98
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6,10,15,19,23-Pentamethyltetracosa-6,10,14,18,22-pentaen-2-imine
CID 53649182
3-[[2-(2-Fluoropropan-2-yl)-4,6,7-trimethylcyclohepta-1,3,6-trien-1-yl]methylidene]hexan-2-imine
CID 91334136
(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
CID 154987810
(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
CID 155049255
2,3,4,5-Tetrapropylcyclopenta-2,4-dien-1-imine
CID 134993711
Ethylcyclopentenimine
CID 149143293
2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine
CID 143814371
(5Z,7E)-8-fluoro-5-methylnona-5,7-dien-4-imine
CID 168202065
1-Cyclopenta-1,3-dien-1-ylethanimine
CID 12554024
2,5-Dimethylcyclohexa-2,4-dien-1-imine
CID 23530554
3,5,6,7-Tetrahydroinden-4-imine
CID 57171416
1,4-Dihydroinden-2-imine
CID 57172893

Frequently Asked Questions

What is the IUPAC name of (2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine?
The IUPAC name of (2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine (CID 166776667) is (2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine.
What is the SMILES notation for (2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine?
The canonical SMILES for (2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine is [H]/N=C(\C=C/C)C(=C/C)/C(C)=C\CC1=CCCC1.
What is the InChIKey of (2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine?
The InChIKey is AQVMBAXOWQRESC-WCQQQSISSA-N. The full InChI is InChI=1S/C16H23N/c1-4-8-16(17)15(5-2)13(3)11-12-14-9-6-7-10-14/h4-5,8-9,11,17H,6-7,10,12H2,1-3H3/b8-4-,13-11-,15-5+,17-16+.
What are the key properties of (2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine?
(2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine has a molecular weight of 229.37 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine is sourced from PubChem (CID 166776667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).