N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine

C9H15NO — CID 166874510

IUPACN-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C(C)=C(/C)OC
InChIInChI=1S/C9H15NO/c1-7(9(3)11-5)6-8(2)10-4/h6H,4H2,1-3,5H3/b8-6-,9-7+
InChIKeyCTLQFZHTHJLIMW-MKKAVFGOSA-N
MW153.22 g/mol
LogP2.53
Rot. Bonds3

About N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine

N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine (PubChem CID 166874510) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine
PubChem CID166874510
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C(C)=C(/C)OC
InChIInChI=1S/C9H15NO/c1-7(9(3)11-5)6-8(2)10-4/h6H,4H2,1-3,5H3/b8-6-,9-7+
InChIKeyCTLQFZHTHJLIMW-MKKAVFGOSA-N
XLogP2.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.53
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'}

Analyze N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine with MolForge

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Related Compounds

N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine
CID 156714992
N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine
CID 167253000
(4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine
CID 142112533
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine
CID 143591444
N-[(1E)-1-methoxy-2-methylbuta-1,3-dienyl]methanimine;propane
CID 143608728
ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine
CID 142804445
N-[(Z)-1-methoxyprop-1-enyl]methanimine
CID 144898882
N-(1-methoxyethenyl)methanimine
CID 123326065
(E)-2-fluoro-3-methoxybut-2-ene
CID 163586290
6-tert-butyl-5-ethenyl-2-methoxy-3,8,8-trimethylnona-2,4-diene
CID 123438047
(5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol
CID 139497248

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine (CID 166874510) is N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C\C(C)=C(/C)OC.
What is the InChIKey of N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine?
The InChIKey is CTLQFZHTHJLIMW-MKKAVFGOSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(9(3)11-5)6-8(2)10-4/h6H,4H2,1-3,5H3/b8-6-,9-7+.
What are the key properties of N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine?
N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine has a molecular weight of 153.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 166874510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).