N-(2,3-dimethylbut-1-enyl)ethanimine

C8H15N — CID 123561451

IUPACN-(2,3-dimethylbut-1-enyl)ethanimine
SMILESC/C=N/C=C(C)C(C)C
InChIInChI=1S/C8H15N/c1-5-9-6-8(4)7(2)3/h5-7H,1-4H3/b8-6?,9-5+
InChIKeyKHVYVIQGFLSQNN-JUIIZTTKSA-N
MW125.21 g/mol
LogP2.64
Rot. Bonds2

About N-(2,3-dimethylbut-1-enyl)ethanimine

N-(2,3-dimethylbut-1-enyl)ethanimine (PubChem CID 123561451) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-(2,3-dimethylbut-1-enyl)ethanimine.

Molecular Properties

Compound NameN-(2,3-dimethylbut-1-enyl)ethanimine
PubChem CID123561451
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-(2,3-dimethylbut-1-enyl)ethanimine
SMILESC/C=N/C=C(C)C(C)C
InChIInChI=1S/C8H15N/c1-5-9-6-8(4)7(2)3/h5-7H,1-4H3/b8-6?,9-5+
InChIKeyKHVYVIQGFLSQNN-JUIIZTTKSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.64
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

Propenylamine, N-isobutylidene-2-methyl-
CID 220593
Isobutenylbutylidenamin
CID 90805047
N-[(E)-2,3-dimethylbut-1-enyl]-4,4,4-trifluorobutan-1-imine;ethane
CID 142399738
N-[(E)-2,3-dimethylbut-1-enyl]-4,4,4-trifluorobutan-1-imine
CID 142399739
3,7-Diethyl-5-azanona-3,5-diene
CID 12413470
5-Propan-2-yl-3,4-dihydropyridine
CID 14979266
N-(2-methylprop-1-enyl)ethanimine
CID 15632338
4-propan-2-yl-3H-pyrrole
CID 20824350
2-methyl-N-(2-methylpent-1-enyl)pentan-1-imine
CID 54531657
4-(2-methylpropyl)-3H-pyrrole
CID 58786990
N-[(Z)-3-methylpent-1-enyl]ethanimine
CID 89195550
N-[(Z)-2-methylbut-1-enyl]propan-1-imine
CID 89331090

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbut-1-enyl)ethanimine?
The IUPAC name of N-(2,3-dimethylbut-1-enyl)ethanimine (CID 123561451) is N-(2,3-dimethylbut-1-enyl)ethanimine.
What is the SMILES notation for N-(2,3-dimethylbut-1-enyl)ethanimine?
The canonical SMILES for N-(2,3-dimethylbut-1-enyl)ethanimine is C/C=N/C=C(C)C(C)C.
What is the InChIKey of N-(2,3-dimethylbut-1-enyl)ethanimine?
The InChIKey is KHVYVIQGFLSQNN-JUIIZTTKSA-N. The full InChI is InChI=1S/C8H15N/c1-5-9-6-8(4)7(2)3/h5-7H,1-4H3/b8-6?,9-5+.
What are the key properties of N-(2,3-dimethylbut-1-enyl)ethanimine?
N-(2,3-dimethylbut-1-enyl)ethanimine has a molecular weight of 125.21 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbut-1-enyl)ethanimine is sourced from PubChem (CID 123561451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).