N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine

C12H19NO — CID 166783328

IUPACN-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine
SMILESC=C(/N=C/CC)/C(=C\CC)OC1CC1
InChIInChI=1S/C12H19NO/c1-4-6-12(14-11-7-8-11)10(3)13-9-5-2/h6,9,11H,3-5,7-8H2,1-2H3/b12-6+,13-9+
InChIKeyWEPMOUNXZCCNPW-IWFZMGPQSA-N
MW193.29 g/mol
LogP3.45
Rot. Bonds6

About N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine

N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine (PubChem CID 166783328) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine.

Molecular Properties

Compound NameN-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine
PubChem CID166783328
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine
SMILESC=C(/N=C/CC)/C(=C\CC)OC1CC1
InChIInChI=1S/C12H19NO/c1-4-6-12(14-11-7-8-11)10(3)13-9-5-2/h6,9,11H,3-5,7-8H2,1-2H3/b12-6+,13-9+
InChIKeyWEPMOUNXZCCNPW-IWFZMGPQSA-N
XLogP3.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.45
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-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-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 N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine?
The IUPAC name of N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine (CID 166783328) is N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine.
What is the SMILES notation for N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine?
The canonical SMILES for N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine is C=C(/N=C/CC)/C(=C\CC)OC1CC1.
What is the InChIKey of N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine?
The InChIKey is WEPMOUNXZCCNPW-IWFZMGPQSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-6-12(14-11-7-8-11)10(3)13-9-5-2/h6,9,11H,3-5,7-8H2,1-2H3/b12-6+,13-9+.
What are the key properties of N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine?
N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine has a molecular weight of 193.29 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]propan-1-imine is sourced from PubChem (CID 166783328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).