ethane;N-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine

C14H25NO — CID 143256282

IUPACethane;N-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine
SMILESC=NC(=C/C)/C(=C\C(C)=C/CC)OC.CC
InChIInChI=1S/C12H19NO.C2H6/c1-6-8-10(3)9-12(14-5)11(7-2)13-4;1-2/h7-9H,4,6H2,1-3,5H3;1-2H3/b10-8-,11-7+,12-9+;
InChIKeyBZTHZKHVNDEDRP-USPCXQMTSA-N
MW223.36 g/mol
LogP4.50
Rot. Bonds5

About ethane;N-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine

ethane;N-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine (PubChem CID 143256282) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;N-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine.

Molecular Properties

Compound Nameethane;N-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine
PubChem CID143256282
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nameethane;N-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine
SMILESC=NC(=C/C)/C(=C\C(C)=C/CC)OC.CC
InChIInChI=1S/C12H19NO.C2H6/c1-6-8-10(3)9-12(14-5)11(7-2)13-4;1-2/h7-9H,4,6H2,1-3,5H3;1-2H3/b10-8-,11-7+,12-9+;
InChIKeyBZTHZKHVNDEDRP-USPCXQMTSA-N
XLogP4.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine?
The IUPAC name of ethane;N-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine (CID 143256282) is ethane;N-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine.
What is the SMILES notation for ethane;N-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine?
The canonical SMILES for ethane;N-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine is C=NC(=C/C)/C(=C\C(C)=C/CC)OC.CC.
What is the InChIKey of ethane;N-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine?
The InChIKey is BZTHZKHVNDEDRP-USPCXQMTSA-N. The full InChI is InChI=1S/C12H19NO.C2H6/c1-6-8-10(3)9-12(14-5)11(7-2)13-4;1-2/h7-9H,4,6H2,1-3,5H3;1-2H3/b10-8-,11-7+,12-9+;.
What are the key properties of ethane;N-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine?
ethane;N-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine has a molecular weight of 223.36 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E,4E,6Z)-4-methoxy-6-methylnona-2,4,6-trien-3-yl]methanimine is sourced from PubChem (CID 143256282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).