N-cyclohexa-1,5-dien-1-ylethanimine

C8H11N — CID 123548682

IUPACN-cyclohexa-1,5-dien-1-ylethanimine
SMILESC/C=N/C1=CCCC=C1
InChIInChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h2,4,6-7H,3,5H2,1H3/b9-2+
InChIKeyFTTDZDSEEUZDND-XNWCZRBMSA-N
MW121.18 g/mol
LogP2.31
Rot. Bonds1

About N-cyclohexa-1,5-dien-1-ylethanimine

N-cyclohexa-1,5-dien-1-ylethanimine (PubChem CID 123548682) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-ylethanimine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-ylethanimine
PubChem CID123548682
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-cyclohexa-1,5-dien-1-ylethanimine
SMILESC/C=N/C1=CCCC=C1
InChIInChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h2,4,6-7H,3,5H2,1H3/b9-2+
InChIKeyFTTDZDSEEUZDND-XNWCZRBMSA-N
XLogP2.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.31
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

N-cyclopenta-1,4-dien-1-ylethanimine
CID 123152583
methane;2-methylcyclohexa-1,3-diene
CID 143188946
acetaldehyde;2-methylcyclohexa-1,3-diene
CID 144635088
4-(cyclohexa-1,5-dien-1-yldiazenyl)-N,N-dimethylaniline
CID 22711733
N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine
CID 175731651
N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine
CID 152858957
2-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene
CID 145327169
cyclohexa-1,5-dien-1-ol;ethane
CID 143526477
N-cyclohexa-1,5-dien-1-ylmethanimine;1-ethynyl-4-methylbenzene;propane
CID 172616626
cyclohexa-1,5-diene-1-thiol
CID 20674922
2-tert-butylcyclohexa-1,3-diene;phosphane
CID 159538716
ethane;2-methylcyclohexa-1,3-diene;propane
CID 144716952

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-ylethanimine?
The IUPAC name of N-cyclohexa-1,5-dien-1-ylethanimine (CID 123548682) is N-cyclohexa-1,5-dien-1-ylethanimine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-ylethanimine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-ylethanimine is C/C=N/C1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-ylethanimine?
The InChIKey is FTTDZDSEEUZDND-XNWCZRBMSA-N. The full InChI is InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h2,4,6-7H,3,5H2,1H3/b9-2+.
What are the key properties of N-cyclohexa-1,5-dien-1-ylethanimine?
N-cyclohexa-1,5-dien-1-ylethanimine has a molecular weight of 121.18 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-ylethanimine is sourced from PubChem (CID 123548682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).