(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine

C15H23N — CID 143718088

IUPAC(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine
SMILES[H]/N=C1\CC(C)=C(CC)\C1=C\C(C)/C=C\CC
InChIInChI=1S/C15H23N/c1-5-7-8-11(3)9-14-13(6-2)12(4)10-15(14)16/h7-9,11,16H,5-6,10H2,1-4H3/b8-7-,14-9-,16-15+
InChIKeyVQNZTBAWRRGIRH-ZLNHWYBQSA-N
MW217.36 g/mol
LogP4.67
Rot. Bonds4

About (2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine

(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine (PubChem CID 143718088) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine.

Molecular Properties

Compound Name(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine
PubChem CID143718088
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine
SMILES[H]/N=C1\CC(C)=C(CC)\C1=C\C(C)/C=C\CC
InChIInChI=1S/C15H23N/c1-5-7-8-11(3)9-14-13(6-2)12(4)10-15(14)16/h7-9,11,16H,5-6,10H2,1-4H3/b8-7-,14-9-,16-15+
InChIKeyVQNZTBAWRRGIRH-ZLNHWYBQSA-N
XLogP4.67
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.67
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'}

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Related Compounds

(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-[(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
3,5,6,7-Tetrahydroinden-4-imine
CID 57171416
1,4-Dihydroinden-2-imine
CID 57172893
2-Cyclopenta-1,3-dien-1-ylcyclopent-2-en-1-imine
CID 57208179
N-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine
CID 58862023
2-Ethylcyclohexa-2,4-dien-1-imine
CID 68768771
2-Hexylcyclohexa-2,5-diene-1,4-diimine
CID 70145261
(6Z)-2-ethyl-6-[(Z)-2-ethylbut-2-enylidene]cyclohexan-1-imine
CID 87690054

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine?
The IUPAC name of (2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine (CID 143718088) is (2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine.
What is the SMILES notation for (2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine?
The canonical SMILES for (2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine is [H]/N=C1\CC(C)=C(CC)\C1=C\C(C)/C=C\CC.
What is the InChIKey of (2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine?
The InChIKey is VQNZTBAWRRGIRH-ZLNHWYBQSA-N. The full InChI is InChI=1S/C15H23N/c1-5-7-8-11(3)9-14-13(6-2)12(4)10-15(14)16/h7-9,11,16H,5-6,10H2,1-4H3/b8-7-,14-9-,16-15+.
What are the key properties of (2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine?
(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine has a molecular weight of 217.36 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine is sourced from PubChem (CID 143718088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).