(Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine

C12H17NO — CID 142902581

IUPAC(Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine
SMILESCCC/C=C1\C=C(C)C=C\C1=N\OC
InChIInChI=1S/C12H17NO/c1-4-5-6-11-9-10(2)7-8-12(11)13-14-3/h6-9H,4-5H2,1-3H3/b11-6+,13-12-
InChIKeyONFNAGUZRFAWGI-SJYPEPLSSA-N
MW191.27 g/mol
LogP3.23
Rot. Bonds3

About (Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine

(Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine (PubChem CID 142902581) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine
PubChem CID142902581
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine
SMILESCCC/C=C1\C=C(C)C=C\C1=N\OC
InChIInChI=1S/C12H17NO/c1-4-5-6-11-9-10(2)7-8-12(11)13-14-3/h6-9H,4-5H2,1-3H3/b11-6+,13-12-
InChIKeyONFNAGUZRFAWGI-SJYPEPLSSA-N
XLogP3.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.23
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'}

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Related Compounds

Dibenzoxazepine
CID 3080684
6-methyl-5-hepten-2-one O-methyl oxime
CID 54498456
(E,3Z)-3-[(E)-3-fluoroprop-2-enylidene]-N-methoxy-2-methylidenecyclohexan-1-imine
CID 141853628
Carbonyl-(methoxyimino)benzene
CID 86164698
chloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine
CID 134971514
[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium
CID 155936514
(E)-1-(cyclohexen-1-yl)-N-methoxypropan-1-imine
CID 176428399
(6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide
CID 10080568
(E)-N-methoxy-6-methylhept-5-en-2-imine
CID 17887262
(E,E)-N-methoxy-6-methylnon-5-en-2-imine
CID 20684489
N-ethoxycyclohexa-2,4-dien-1-imine
CID 53763905
N-methoxycyclohexa-2,4-dien-1-imine
CID 53893918

Frequently Asked Questions

What is the IUPAC name of (Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine (CID 142902581) is (Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine is CCC/C=C1\C=C(C)C=C\C1=N\OC.
What is the InChIKey of (Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is ONFNAGUZRFAWGI-SJYPEPLSSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-5-6-11-9-10(2)7-8-12(11)13-14-3/h6-9H,4-5H2,1-3H3/b11-6+,13-12-.
What are the key properties of (Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine?
(Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 191.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6E)-6-butylidene-N-methoxy-4-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 142902581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).