ethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine

C14H23NO — CID 142804778

IUPACethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine
SMILESC=C(/C=N\OC)/C=C/C=C(C)\C=C/C.CC
InChIInChI=1S/C12H17NO.C2H6/c1-5-7-11(2)8-6-9-12(3)10-13-14-4;1-2/h5-10H,3H2,1-2,4H3;1-2H3/b7-5-,9-6+,11-8-,13-10-;
InChIKeyDPTARMOOKBRZIQ-HYENVJQQSA-N
MW221.34 g/mol
LogP4.28
Rot. Bonds5

About ethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine

ethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine (PubChem CID 142804778) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is ethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine.

Molecular Properties

Compound Nameethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine
PubChem CID142804778
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Nameethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine
SMILESC=C(/C=N\OC)/C=C/C=C(C)\C=C/C.CC
InChIInChI=1S/C12H17NO.C2H6/c1-5-7-11(2)8-6-9-12(3)10-13-14-4;1-2/h5-10H,3H2,1-2,4H3;1-2H3/b7-5-,9-6+,11-8-,13-10-;
InChIKeyDPTARMOOKBRZIQ-HYENVJQQSA-N
XLogP4.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine?
The IUPAC name of ethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine (CID 142804778) is ethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine.
What is the SMILES notation for ethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine?
The canonical SMILES for ethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine is C=C(/C=N\OC)/C=C/C=C(C)\C=C/C.CC.
What is the InChIKey of ethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine?
The InChIKey is DPTARMOOKBRZIQ-HYENVJQQSA-N. The full InChI is InChI=1S/C12H17NO.C2H6/c1-5-7-11(2)8-6-9-12(3)10-13-14-4;1-2/h5-10H,3H2,1-2,4H3;1-2H3/b7-5-,9-6+,11-8-,13-10-;.
What are the key properties of ethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine?
ethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine has a molecular weight of 221.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine is sourced from PubChem (CID 142804778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).