N-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine

C18H21N — CID 163602736

IUPACN-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine
SMILESC=C(/N=C(\C)CC1C=CC=CC1)C1=CC=CCC=C1
InChIInChI=1S/C18H21N/c1-15(14-17-10-6-5-7-11-17)19-16(2)18-12-8-3-4-9-13-18/h3,5-10,12-13,17H,2,4,11,14H2,1H3/b19-15+
InChIKeyGZAXUKLTSBREKD-XDJHFCHBSA-N
MW251.37 g/mol
LogP4.93
Rot. Bonds4

About N-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine

N-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine (PubChem CID 163602736) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine.

Molecular Properties

Compound NameN-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine
PubChem CID163602736
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine
SMILESC=C(/N=C(\C)CC1C=CC=CC1)C1=CC=CCC=C1
InChIInChI=1S/C18H21N/c1-15(14-17-10-6-5-7-11-17)19-16(2)18-12-8-3-4-9-13-18/h3,5-10,12-13,17H,2,4,11,14H2,1H3/b19-15+
InChIKeyGZAXUKLTSBREKD-XDJHFCHBSA-N
XLogP4.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.93
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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine?
The IUPAC name of N-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine (CID 163602736) is N-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine.
What is the SMILES notation for N-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine?
The canonical SMILES for N-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine is C=C(/N=C(\C)CC1C=CC=CC1)C1=CC=CCC=C1.
What is the InChIKey of N-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine?
The InChIKey is GZAXUKLTSBREKD-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H21N/c1-15(14-17-10-6-5-7-11-17)19-16(2)18-12-8-3-4-9-13-18/h3,5-10,12-13,17H,2,4,11,14H2,1H3/b19-15+.
What are the key properties of N-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine?
N-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine has a molecular weight of 251.37 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohepta-1,3,6-trien-1-ylethenyl)-1-cyclohexa-2,4-dien-1-ylpropan-2-imine is sourced from PubChem (CID 163602736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).