(Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine

C14H21NO — CID 167233568

IUPAC(Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine
SMILESC/C=C(\C=N\C)C1=C(C)C(C)=C(OC)CC1
InChIInChI=1S/C14H21NO/c1-6-12(9-15-4)13-7-8-14(16-5)11(3)10(13)2/h6,9H,7-8H2,1-5H3/b12-6+,15-9+
InChIKeyRECSLYJBTDKDPA-DEKCZAFFSA-N
MW219.33 g/mol
LogP3.66
Rot. Bonds3

About (Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine

(Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine (PubChem CID 167233568) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine
PubChem CID167233568
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine
SMILESC/C=C(\C=N\C)C1=C(C)C(C)=C(OC)CC1
InChIInChI=1S/C14H21NO/c1-6-12(9-15-4)13-7-8-14(16-5)11(3)10(13)2/h6,9H,7-8H2,1-5H3/b12-6+,15-9+
InChIKeyRECSLYJBTDKDPA-DEKCZAFFSA-N
XLogP3.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine?
The IUPAC name of (Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine (CID 167233568) is (Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine.
What is the SMILES notation for (Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine?
The canonical SMILES for (Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine is C/C=C(\C=N\C)C1=C(C)C(C)=C(OC)CC1.
What is the InChIKey of (Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine?
The InChIKey is RECSLYJBTDKDPA-DEKCZAFFSA-N. The full InChI is InChI=1S/C14H21NO/c1-6-12(9-15-4)13-7-8-14(16-5)11(3)10(13)2/h6,9H,7-8H2,1-5H3/b12-6+,15-9+.
What are the key properties of (Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine?
(Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine has a molecular weight of 219.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methoxy-2,3-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine is sourced from PubChem (CID 167233568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).