ethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine

C13H25N — CID 145193184

IUPACethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine
SMILESC=C/C=C(C)\C(C)=N\C=C.CC.CC
InChIInChI=1S/C9H13N.2C2H6/c1-5-7-8(3)9(4)10-6-2;2*1-2/h5-7H,1-2H2,3-4H3;2*1-2H3/b8-7-,10-9+;;
InChIKeyHWUVPLSBJGXUGO-MURMZTFFSA-N
MW195.35 g/mol
LogP4.78
Rot. Bonds3

About ethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine

ethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine (PubChem CID 145193184) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is ethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Nameethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine
PubChem CID145193184
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Nameethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine
SMILESC=C/C=C(C)\C(C)=N\C=C.CC.CC
InChIInChI=1S/C9H13N.2C2H6/c1-5-7-8(3)9(4)10-6-2;2*1-2/h5-7H,1-2H2,3-4H3;2*1-2H3/b8-7-,10-9+;;
InChIKeyHWUVPLSBJGXUGO-MURMZTFFSA-N
XLogP4.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1-Benzazocine
CID 17846319
5H-Indole
CID 20712154
Dibenz[b,f]azocine
CID 23633137
2-Pentylazocine
CID 57095178
2-[(2Z,4Z)-3-fluorohexa-2,4-dien-2-yl]-3,8-dimethylideneazecine
CID 130341015
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
ethane;5-ethyl-2-(trifluoromethyl)-3H-azepine
CID 143347099
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
(3Z,5E)-5-fluoro-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
CID 144296874
(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
CID 155181207
(E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine
CID 155204692
(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine
CID 166976493

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine?
The IUPAC name of ethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine (CID 145193184) is ethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine.
What is the SMILES notation for ethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine?
The canonical SMILES for ethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine is C=C/C=C(C)\C(C)=N\C=C.CC.CC.
What is the InChIKey of ethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine?
The InChIKey is HWUVPLSBJGXUGO-MURMZTFFSA-N. The full InChI is InChI=1S/C9H13N.2C2H6/c1-5-7-8(3)9(4)10-6-2;2*1-2/h5-7H,1-2H2,3-4H3;2*1-2H3/b8-7-,10-9+;;.
What are the key properties of ethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine?
ethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine has a molecular weight of 195.35 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine is sourced from PubChem (CID 145193184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).