N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine

C14H21N — CID 155717476

IUPACN-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine
SMILESC=CC(=C\C=C/C)/C(=C/C)/N=C(\C)CC
InChIInChI=1S/C14H21N/c1-6-10-11-13(8-3)14(9-4)15-12(5)7-2/h6,8-11H,3,7H2,1-2,4-5H3/b10-6-,13-11+,14-9-,15-12+
InChIKeyOCDWSMXECNLEGE-VISVFVGASA-N
MW203.33 g/mol
LogP4.45
Rot. Bonds5

About N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine

N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine (PubChem CID 155717476) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine.

Molecular Properties

Compound NameN-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine
PubChem CID155717476
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine
SMILESC=CC(=C\C=C/C)/C(=C/C)/N=C(\C)CC
InChIInChI=1S/C14H21N/c1-6-10-11-13(8-3)14(9-4)15-12(5)7-2/h6,8-11H,3,7H2,1-2,4-5H3/b10-6-,13-11+,14-9-,15-12+
InChIKeyOCDWSMXECNLEGE-VISVFVGASA-N
XLogP4.45
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 ≤ 54.45
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 N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine with MolForge

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

Launch Full Analysis

Related Compounds

(4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine
CID 143684728
(4E,6Z)-4-ethenylocta-4,6-dien-3-one;N-methylmethanamine
CID 143337723
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide
CID 145125978
(3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine
CID 170141500
(3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene
CID 143450830
(2Z,4E,6E,8Z)-6-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraene
CID 143312341
(3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol
CID 142201906
N-[(Z)-but-2-en-2-yl]butan-2-imine
CID 12603157
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
N-[(1E,3Z)-1-(triazol-1-yl)penta-1,3-dienyl]butan-2-imine
CID 174116654
(3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene
CID 144553948

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine?
The IUPAC name of N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine (CID 155717476) is N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine.
What is the SMILES notation for N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine?
The canonical SMILES for N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine is C=CC(=C\C=C/C)/C(=C/C)/N=C(\C)CC.
What is the InChIKey of N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine?
The InChIKey is OCDWSMXECNLEGE-VISVFVGASA-N. The full InChI is InChI=1S/C14H21N/c1-6-10-11-13(8-3)14(9-4)15-12(5)7-2/h6,8-11H,3,7H2,1-2,4-5H3/b10-6-,13-11+,14-9-,15-12+.
What are the key properties of N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine?
N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine has a molecular weight of 203.33 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine is sourced from PubChem (CID 155717476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).