N-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine

C13H17N — CID 143629865

IUPACN-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine
SMILESC=C/N=C/C(=C)C1=CC=C(CC)CC1
InChIInChI=1S/C13H17N/c1-4-12-6-8-13(9-7-12)11(3)10-14-5-2/h5-6,8,10H,2-4,7,9H2,1H3/b14-10+
InChIKeyWEMHHIMFAAVBBV-GXDHUFHOSA-N
MW187.29 g/mol
LogP3.81
Rot. Bonds4

About N-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine

N-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine (PubChem CID 143629865) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine
PubChem CID143629865
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine
SMILESC=C/N=C/C(=C)C1=CC=C(CC)CC1
InChIInChI=1S/C13H17N/c1-4-12-6-8-13(9-7-12)11(3)10-14-5-2/h5-6,8,10H,2-4,7,9H2,1H3/b14-10+
InChIKeyWEMHHIMFAAVBBV-GXDHUFHOSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dihydrodibenzo-[c,e]azonine
CID 129855692
Tetrahydrodibenzo[c,f][1,5]azabismocine
CID 170984119
3-Pentylazocine
CID 57204352
1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine
CID 59809511
6-Pentylcyclopenta[c]pyrrole
CID 67725834
5-Pentyl-2,3-dihydropyridine
CID 70353357
7-Methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),8,10,12-tetraene
CID 70374207
(3E)-3-(3-methylbut-2-enylidene)-4-methylidenepyridine
CID 88275820
(3E,4Z)-3,4-di(ethylidene)pyridine
CID 88552850
(2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
CID 88576624
(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepyridine
CID 89028792
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine
CID 89057468

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine?
The IUPAC name of N-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine (CID 143629865) is N-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine.
What is the SMILES notation for N-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine?
The canonical SMILES for N-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine is C=C/N=C/C(=C)C1=CC=C(CC)CC1.
What is the InChIKey of N-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine?
The InChIKey is WEMHHIMFAAVBBV-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H17N/c1-4-12-6-8-13(9-7-12)11(3)10-14-5-2/h5-6,8,10H,2-4,7,9H2,1H3/b14-10+.
What are the key properties of N-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine?
N-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine has a molecular weight of 187.29 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-(4-ethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 143629865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).