(Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine

C13H19NO — CID 139458654

IUPAC(Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine
SMILESC=C1C=C(C(C)C)C=C/C1=N/OC(C)C
InChIInChI=1S/C13H19NO/c1-9(2)12-6-7-13(11(5)8-12)14-15-10(3)4/h6-10H,5H2,1-4H3/b14-13-
InChIKeyXUIAGEHZEVVIDR-YPKPFQOOSA-N
MW205.30 g/mol
LogP3.48
Rot. Bonds3

About (Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine

(Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine (PubChem CID 139458654) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine
PubChem CID139458654
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine
SMILESC=C1C=C(C(C)C)C=C/C1=N/OC(C)C
InChIInChI=1S/C13H19NO/c1-9(2)12-6-7-13(11(5)8-12)14-15-10(3)4/h6-10H,5H2,1-4H3/b14-13-
InChIKeyXUIAGEHZEVVIDR-YPKPFQOOSA-N
XLogP3.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.48
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'}

Analyze (Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine?
The IUPAC name of (Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine (CID 139458654) is (Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine?
The canonical SMILES for (Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine is C=C1C=C(C(C)C)C=C/C1=N/OC(C)C.
What is the InChIKey of (Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine?
The InChIKey is XUIAGEHZEVVIDR-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)12-6-7-13(11(5)8-12)14-15-10(3)4/h6-10H,5H2,1-4H3/b14-13-.
What are the key properties of (Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine?
(Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine has a molecular weight of 205.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methylidene-4-propan-2-yl-N-propan-2-yloxycyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 139458654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).