ethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine

C15H25N — CID 142610618

IUPACethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine
SMILESC/C=C1/C=CC=C(C(C)C)/C1=N\CC.CC
InChIInChI=1S/C13H19N.C2H6/c1-5-11-8-7-9-12(10(3)4)13(11)14-6-2;1-2/h5,7-10H,6H2,1-4H3;1-2H3/b11-5-,14-13-;
InChIKeyCZRFRICFIGRYLG-WOEASNCXSA-N
MW219.37 g/mol
LogP4.57
Rot. Bonds2

About ethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine

ethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine (PubChem CID 142610618) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is ethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine
PubChem CID142610618
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Nameethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine
SMILESC/C=C1/C=CC=C(C(C)C)/C1=N\CC.CC
InChIInChI=1S/C13H19N.C2H6/c1-5-11-8-7-9-12(10(3)4)13(11)14-6-2;1-2/h5,7-10H,6H2,1-4H3;1-2H3/b11-5-,14-13-;
InChIKeyCZRFRICFIGRYLG-WOEASNCXSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine with MolForge

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Related Compounds

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CID 163719688
9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine
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CID 162980508
N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 12553590
1-N,2-N,3,6-tetramethylcyclohexa-3,5-diene-1,2-diimine
CID 20762110
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
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CID 58101930
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CID 58763033
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CID 58763043

Frequently Asked Questions

What is the IUPAC name of ethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine?
The IUPAC name of ethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine (CID 142610618) is ethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for ethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for ethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine is C/C=C1/C=CC=C(C(C)C)/C1=N\CC.CC.
What is the InChIKey of ethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine?
The InChIKey is CZRFRICFIGRYLG-WOEASNCXSA-N. The full InChI is InChI=1S/C13H19N.C2H6/c1-5-11-8-7-9-12(10(3)4)13(11)14-6-2;1-2/h5,7-10H,6H2,1-4H3;1-2H3/b11-5-,14-13-;.
What are the key properties of ethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine?
ethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine has a molecular weight of 219.37 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6Z)-N-ethyl-6-ethylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 142610618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).