ethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane

C15H28N2 — CID 143343941

IUPACethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane
SMILESC/C=C(/C)C=CC/N=C(\C)C#N.CC.CCC
InChIInChI=1S/C10H14N2.C3H8.C2H6/c1-4-9(2)6-5-7-12-10(3)8-11;1-3-2;1-2/h4-6H,7H2,1-3H3;3H2,1-2H3;1-2H3/b6-5?,9-4-,12-10+;;
InChIKeyOKKSBLRAINWXPV-ZXLRPIRQSA-N
MW236.40 g/mol
LogP4.94
Rot. Bonds3

About ethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane

ethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane (PubChem CID 143343941) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is ethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane.

Molecular Properties

Compound Nameethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane
PubChem CID143343941
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Nameethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane
SMILESC/C=C(/C)C=CC/N=C(\C)C#N.CC.CCC
InChIInChI=1S/C10H14N2.C3H8.C2H6/c1-4-9(2)6-5-7-12-10(3)8-11;1-3-2;1-2/h4-6H,7H2,1-3H3;3H2,1-2H3;1-2H3/b6-5?,9-4-,12-10+;;
InChIKeyOKKSBLRAINWXPV-ZXLRPIRQSA-N
XLogP4.94
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane?
The IUPAC name of ethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane (CID 143343941) is ethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane.
What is the SMILES notation for ethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane?
The canonical SMILES for ethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane is C/C=C(/C)C=CC/N=C(\C)C#N.CC.CCC.
What is the InChIKey of ethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane?
The InChIKey is OKKSBLRAINWXPV-ZXLRPIRQSA-N. The full InChI is InChI=1S/C10H14N2.C3H8.C2H6/c1-4-9(2)6-5-7-12-10(3)8-11;1-3-2;1-2/h4-6H,7H2,1-3H3;3H2,1-2H3;1-2H3/b6-5?,9-4-,12-10+;;.
What are the key properties of ethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane?
ethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane has a molecular weight of 236.40 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide;propane is sourced from PubChem (CID 143343941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).