N-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine

C15H21N — CID 123224062

IUPACN-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine
SMILESC=CC(CC=CC1C=CC=CC1)/N=C/CC
InChIInChI=1S/C15H21N/c1-3-13-16-15(4-2)12-8-11-14-9-6-5-7-10-14/h4-9,11,13-15H,2-3,10,12H2,1H3/b11-8?,16-13+
InChIKeySUKUXEWKIQYGFE-JDVSZHNISA-N
MW215.34 g/mol
LogP4.10
Rot. Bonds6

About N-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine

N-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine (PubChem CID 123224062) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine.

Molecular Properties

Compound NameN-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine
PubChem CID123224062
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine
SMILESC=CC(CC=CC1C=CC=CC1)/N=C/CC
InChIInChI=1S/C15H21N/c1-3-13-16-15(4-2)12-8-11-14-9-6-5-7-10-14/h4-9,11,13-15H,2-3,10,12H2,1H3/b11-8?,16-13+
InChIKeySUKUXEWKIQYGFE-JDVSZHNISA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine?
The IUPAC name of N-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine (CID 123224062) is N-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine.
What is the SMILES notation for N-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine?
The canonical SMILES for N-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine is C=CC(CC=CC1C=CC=CC1)/N=C/CC.
What is the InChIKey of N-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine?
The InChIKey is SUKUXEWKIQYGFE-JDVSZHNISA-N. The full InChI is InChI=1S/C15H21N/c1-3-13-16-15(4-2)12-8-11-14-9-6-5-7-10-14/h4-9,11,13-15H,2-3,10,12H2,1H3/b11-8?,16-13+.
What are the key properties of N-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine?
N-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine has a molecular weight of 215.34 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine is sourced from PubChem (CID 123224062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).