N-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine

C13H19N — CID 91438172

IUPACN-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine
SMILESC/C=N/C1(CC2=CC=CCC2)CCC1
InChIInChI=1S/C13H19N/c1-2-14-13(9-6-10-13)11-12-7-4-3-5-8-12/h2-4,7H,5-6,8-11H2,1H3/b14-2+
InChIKeyMITOJBRRGBVSEG-JLZUIIAYSA-N
MW189.30 g/mol
LogP3.67
Rot. Bonds3

About N-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine

N-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine (PubChem CID 91438172) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine.

Molecular Properties

Compound NameN-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine
PubChem CID91438172
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine
SMILESC/C=N/C1(CC2=CC=CCC2)CCC1
InChIInChI=1S/C13H19N/c1-2-14-13(9-6-10-13)11-12-7-4-3-5-8-12/h2-4,7H,5-6,8-11H2,1H3/b14-2+
InChIKeyMITOJBRRGBVSEG-JLZUIIAYSA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.67
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

But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
8-Pentyl-6,7,8,8a-tetrahydroquinoline
CID 57045796
N-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine
CID 123422222
N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine
CID 123440293
4-(4-Methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine
CID 123503471
5-Pentan-2-yl-2-azabicyclo[4.2.0]octa-2,4-diene
CID 123631403
(2R)-2-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole
CID 143222165
6-methyl-4-[(E)-2-methylbut-1-enyl]-5-[(Z)-1-(2-methylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-6-propyl-3H-pyridine
CID 173670871
N-[5-ethyl-3-methyl-2-[(Z)-2-methyl-1-(2-methylcyclobutyl)but-1-enyl]cyclohexa-1,3-dien-1-yl]ethanimine
CID 173863561
2-(2-Bicyclo[2.2.1]hept-1-enyl)-2-methylazepine
CID 174248474
ethane;N-(2-ethenyl-6-propan-2-ylcyclohexen-1-yl)ethanimine
CID 178128343
N-[(8E,10Z)-3,7-dimethyltrideca-8,10,12-trien-2-yl]ethanimine
CID 141780090

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine?
The IUPAC name of N-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine (CID 91438172) is N-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine.
What is the SMILES notation for N-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine?
The canonical SMILES for N-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine is C/C=N/C1(CC2=CC=CCC2)CCC1.
What is the InChIKey of N-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine?
The InChIKey is MITOJBRRGBVSEG-JLZUIIAYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-14-13(9-6-10-13)11-12-7-4-3-5-8-12/h2-4,7H,5-6,8-11H2,1H3/b14-2+.
What are the key properties of N-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine?
N-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine has a molecular weight of 189.30 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine is sourced from PubChem (CID 91438172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).