1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine

C18H23N — CID 146662322

IUPAC1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine
SMILESC=C/C(=N\C(C)(C)C1C=CC=CC1)C1=CCCC=C1
InChIInChI=1S/C18H23N/c1-4-17(15-11-7-5-8-12-15)19-18(2,3)16-13-9-6-10-14-16/h4,6-7,9-13,16H,1,5,8,14H2,2-3H3/b19-17+
InChIKeyNHSKSNHTNAPDJY-HTXNQAPBSA-N
MW253.39 g/mol
LogP4.80
Rot. Bonds4

About 1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine

1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine (PubChem CID 146662322) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine
PubChem CID146662322
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine
SMILESC=C/C(=N\C(C)(C)C1C=CC=CC1)C1=CCCC=C1
InChIInChI=1S/C18H23N/c1-4-17(15-11-7-5-8-12-15)19-18(2,3)16-13-9-6-10-14-16/h4,6-7,9-13,16H,1,5,8,14H2,2-3H3/b19-17+
InChIKeyNHSKSNHTNAPDJY-HTXNQAPBSA-N
XLogP4.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine (CID 146662322) is 1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine is C=C/C(=N\C(C)(C)C1C=CC=CC1)C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine?
The InChIKey is NHSKSNHTNAPDJY-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H23N/c1-4-17(15-11-7-5-8-12-15)19-18(2,3)16-13-9-6-10-14-16/h4,6-7,9-13,16H,1,5,8,14H2,2-3H3/b19-17+.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine?
1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine has a molecular weight of 253.39 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine is sourced from PubChem (CID 146662322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).