N-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine

C16H23N — CID 123341161

IUPACN-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine
SMILESC=C/C(CC)=N\CC1=CC=C(C(C)=CC)CC1
InChIInChI=1S/C16H23N/c1-5-13(4)15-10-8-14(9-11-15)12-17-16(6-2)7-3/h5-6,8,10H,2,7,9,11-12H2,1,3-4H3/b13-5?,17-16+
InChIKeyUDPKQUJMVAFXMY-XVKDMAIWSA-N
MW229.37 g/mol
LogP4.64
Rot. Bonds5

About N-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine

N-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine (PubChem CID 123341161) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine.

Molecular Properties

Compound NameN-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine
PubChem CID123341161
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine
SMILESC=C/C(CC)=N\CC1=CC=C(C(C)=CC)CC1
InChIInChI=1S/C16H23N/c1-5-13(4)15-10-8-14(9-11-15)12-17-16(6-2)7-3/h5-6,8,10H,2,7,9,11-12H2,1,3-4H3/b13-5?,17-16+
InChIKeyUDPKQUJMVAFXMY-XVKDMAIWSA-N
XLogP4.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine with MolForge

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Related Compounds

1-(2-(3,4,5,6-Tetrahydropyridyl))-1,3-pentadiene
CID 6444364
6-Hepta-1,3,5-trienyl-2,3,4,5-tetrahydropyridine
CID 442650
Nigrifactin
CID 5281688
Lanopylin B2
CID 11279421
5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
CID 72781473
Koreenceine A
CID 146683591
5-ethenyl-3-[3-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)propyl]-2H-pyrrole
CID 134390099
5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-propyl-2H-pyrrole
CID 170067974
6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
CID 135038641
(2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine
CID 153399315
6-Penta-1,3-dienyl-2,3,4,5-tetrahydropyridine
CID 198319
N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine
CID 54535522

Frequently Asked Questions

What is the IUPAC name of N-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine?
The IUPAC name of N-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine (CID 123341161) is N-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine.
What is the SMILES notation for N-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine?
The canonical SMILES for N-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine is C=C/C(CC)=N\CC1=CC=C(C(C)=CC)CC1.
What is the InChIKey of N-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine?
The InChIKey is UDPKQUJMVAFXMY-XVKDMAIWSA-N. The full InChI is InChI=1S/C16H23N/c1-5-13(4)15-10-8-14(9-11-15)12-17-16(6-2)7-3/h5-6,8,10H,2,7,9,11-12H2,1,3-4H3/b13-5?,17-16+.
What are the key properties of N-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine?
N-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine has a molecular weight of 229.37 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine is sourced from PubChem (CID 123341161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).