ethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen

C19H34N2O — CID 170724335

IUPACethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen
SMILESC/C=C\C(CNC(=O)C1=CC=CCC=C1)=N/CC.CC.CC.[H][H]
InChIInChI=1S/C15H20N2O.2C2H6.H2/c1-3-9-14(16-4-2)12-17-15(18)13-10-7-5-6-8-11-13;2*1-2;/h3,5,7-11H,4,6,12H2,1-2H3,(H,17,18);2*1-2H3;1H/b9-3-,16-14+;;;
InChIKeyDHBLIZQZKNUBHC-PMOXPELESA-N
MW306.49 g/mol
LogP4.88
Rot. Bonds5

About ethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen

ethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen (PubChem CID 170724335) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is ethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen
PubChem CID170724335
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Nameethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen
SMILESC/C=C\C(CNC(=O)C1=CC=CCC=C1)=N/CC.CC.CC.[H][H]
InChIInChI=1S/C15H20N2O.2C2H6.H2/c1-3-9-14(16-4-2)12-17-15(18)13-10-7-5-6-8-11-13;2*1-2;/h3,5,7-11H,4,6,12H2,1-2H3,(H,17,18);2*1-2H3;1H/b9-3-,16-14+;;;
InChIKeyDHBLIZQZKNUBHC-PMOXPELESA-N
XLogP4.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen?
The IUPAC name of ethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen (CID 170724335) is ethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen?
The canonical SMILES for ethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen is C/C=C\C(CNC(=O)C1=CC=CCC=C1)=N/CC.CC.CC.[H][H].
What is the InChIKey of ethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen?
The InChIKey is DHBLIZQZKNUBHC-PMOXPELESA-N. The full InChI is InChI=1S/C15H20N2O.2C2H6.H2/c1-3-9-14(16-4-2)12-17-15(18)13-10-7-5-6-8-11-13;2*1-2;/h3,5,7-11H,4,6,12H2,1-2H3,(H,17,18);2*1-2H3;1H/b9-3-,16-14+;;;.
What are the key properties of ethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen?
ethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen has a molecular weight of 306.49 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 170724335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).