N-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine

C15H25N — CID 123422222

IUPACN-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine
SMILESC=C1CC(CC)(/N=C/C)C1(CC)C(C)=CC
InChIInChI=1S/C15H25N/c1-7-12(5)15(9-3)13(6)11-14(15,8-2)16-10-4/h7,10H,6,8-9,11H2,1-5H3/b12-7?,16-10+
InChIKeyWXKFCJXCKRKQJM-QAGSXOKCSA-N
MW219.37 g/mol
LogP4.55
Rot. Bonds4

About N-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine

N-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine (PubChem CID 123422222) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine.

Molecular Properties

Compound NameN-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine
PubChem CID123422222
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine
SMILESC=C1CC(CC)(/N=C/C)C1(CC)C(C)=CC
InChIInChI=1S/C15H25N/c1-7-12(5)15(9-3)13(6)11-14(15,8-2)16-10-4/h7,10H,6,8-9,11H2,1-5H3/b12-7?,16-10+
InChIKeyWXKFCJXCKRKQJM-QAGSXOKCSA-N
XLogP4.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.55
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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Related Compounds

(1S,4S,5R)-4,7-ditert-butyl-2-azabicyclo[3.2.0]hepta-2,6-diene
CID 12014503
N-[1-(cyclohexa-1,3-dien-1-ylmethyl)cyclobutyl]ethanimine
CID 91438172
(2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine
CID 130224013
(1R,5S)-2,5-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene
CID 12014504
2,4-dimethyl-2-(3-methylhexan-3-yl)-3H-pyridine
CID 143199851
2,3,4-Trimethyl-3-(2-methylpropyl)-5-propyl-2,4-dihydroazepine
CID 143713436

Frequently Asked Questions

What is the IUPAC name of N-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine?
The IUPAC name of N-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine (CID 123422222) is N-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine.
What is the SMILES notation for N-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine?
The canonical SMILES for N-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine is C=C1CC(CC)(/N=C/C)C1(CC)C(C)=CC.
What is the InChIKey of N-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine?
The InChIKey is WXKFCJXCKRKQJM-QAGSXOKCSA-N. The full InChI is InChI=1S/C15H25N/c1-7-12(5)15(9-3)13(6)11-14(15,8-2)16-10-4/h7,10H,6,8-9,11H2,1-5H3/b12-7?,16-10+.
What are the key properties of N-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine?
N-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine has a molecular weight of 219.37 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-2-en-2-yl-1,2-diethyl-3-methylidenecyclobutyl)ethanimine is sourced from PubChem (CID 123422222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).