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

C19H35N — CID 143718087

IUPACethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine
SMILESCC.CC.[H]/N=C1\CC(C)=C(CC)\C1=C\C(C)/C=C\CC
InChIInChI=1S/C15H23N.2C2H6/c1-5-7-8-11(3)9-14-13(6-2)12(4)10-15(14)16;2*1-2/h7-9,11,16H,5-6,10H2,1-4H3;2*1-2H3/b8-7-,14-9-,16-15+;;
InChIKeyWFSDLLXWWQQKIC-MHRYZUHISA-N
MW277.50 g/mol
LogP6.72
Rot. Bonds4

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

ethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine (PubChem CID 143718087) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is ethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine.

Molecular Properties

Compound Nameethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine
PubChem CID143718087
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Nameethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine
SMILESCC.CC.[H]/N=C1\CC(C)=C(CC)\C1=C\C(C)/C=C\CC
InChIInChI=1S/C15H23N.2C2H6/c1-5-7-8-11(3)9-14-13(6-2)12(4)10-15(14)16;2*1-2/h7-9,11,16H,5-6,10H2,1-4H3;2*1-2H3/b8-7-,14-9-,16-15+;;
InChIKeyWFSDLLXWWQQKIC-MHRYZUHISA-N
XLogP6.72
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.72
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'}

Analyze ethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine with MolForge

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Related Compounds

6,10,15,19,23-Pentamethyltetracosa-6,10,14,18,22-pentaen-2-imine
CID 53649182
2,3,4,5-Tetrapropylcyclopenta-2,4-dien-1-imine
CID 134993711
2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine
CID 143814371
3,5,6,7-Tetrahydroinden-4-imine
CID 57171416
2-Cyclopenta-1,3-dien-1-ylcyclopent-2-en-1-imine
CID 57208179
(4E,9Z,11Z)-5-ethyltrideca-4,9,11-trien-2-yn-6-imine
CID 88893179
1-(2,5-Dimethylcyclohexa-1,3-dien-1-yl)butan-1-imine
CID 88907679
1-(4-Ethylcyclohexa-1,3-dien-1-yl)ethanimine
CID 89073024
(11Z,14Z)-icosa-11,14-dien-2-imine
CID 89077215
(E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine
CID 89196812
(5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine
CID 89351746
(4Z)-2,5-dimethyl-4-[(2-methylcyclohexen-1-yl)methylidene]hexan-3-imine
CID 89989510

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine?
The IUPAC name of ethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine (CID 143718087) is ethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine.
What is the SMILES notation for ethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine?
The canonical SMILES for ethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine is CC.CC.[H]/N=C1\CC(C)=C(CC)\C1=C\C(C)/C=C\CC.
What is the InChIKey of ethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine?
The InChIKey is WFSDLLXWWQQKIC-MHRYZUHISA-N. The full InChI is InChI=1S/C15H23N.2C2H6/c1-5-7-8-11(3)9-14-13(6-2)12(4)10-15(14)16;2*1-2/h7-9,11,16H,5-6,10H2,1-4H3;2*1-2H3/b8-7-,14-9-,16-15+;;.
What are the key properties of ethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine?
ethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine has a molecular weight of 277.50 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine is sourced from PubChem (CID 143718087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).