3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine

C14H21N — CID 123326474

IUPAC3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine
SMILESC=C=C(C=C=NC(=CC)C(C)CC)CC
InChIInChI=1S/C14H21N/c1-6-12(5)14(9-4)15-11-10-13(7-2)8-3/h9-10,12H,2,6,8H2,1,3-5H3
InChIKeyQVAKWTWOCFWCJY-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.28
Rot. Bonds5

About 3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine

3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine (PubChem CID 123326474) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine.

Molecular Properties

Compound Name3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine
PubChem CID123326474
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine
SMILESC=C=C(C=C=NC(=CC)C(C)CC)CC
InChIInChI=1S/C14H21N/c1-6-12(5)14(9-4)15-11-10-13(7-2)8-3/h9-10,12H,2,6,8H2,1,3-5H3
InChIKeyQVAKWTWOCFWCJY-UHFFFAOYSA-N
XLogP4.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine with MolForge

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Related Compounds

N-(5-methylhex-2-en-3-yl)methanimine
CID 123547821
2,3-Di(propan-2-yl)-1-azacyclohepta-2,4,6,7-tetraene
CID 124201092
3-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]butan-2-imine
CID 126709243
N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine
CID 129067903
N-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine
CID 129194065
N-[(3Z,5E)-6,7-dimethylocta-3,5-dien-3-yl]methanimine
CID 130473778
2-Methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene
CID 134267172
N-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine
CID 134386687
2-Tert-butyl-5-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene
CID 134415244
2,4-Di(propan-2-yl)-1-azacyclohepta-2,4,6,7-tetraene
CID 134525122
(5Z,7Z)-3,6,9-trimethyl-2-methylidene-3,4-dihydroazonine
CID 134594110
N-[(Z)-5-methyl-4-methylidenehex-2-en-2-yl]propan-2-imine
CID 134604807

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine?
The IUPAC name of 3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine (CID 123326474) is 3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine.
What is the SMILES notation for 3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine?
The canonical SMILES for 3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine is C=C=C(C=C=NC(=CC)C(C)CC)CC.
What is the InChIKey of 3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine?
The InChIKey is QVAKWTWOCFWCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-6-12(5)14(9-4)15-11-10-13(7-2)8-3/h9-10,12H,2,6,8H2,1,3-5H3.
What are the key properties of 3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine?
3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine has a molecular weight of 203.33 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine is sourced from PubChem (CID 123326474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).