N-(2-ethylbut-3-enyl)ethanimine

C8H15N — CID 145012064

IUPACN-(2-ethylbut-3-enyl)ethanimine
SMILESC=CC(CC)C/N=C/C
InChIInChI=1S/C8H15N/c1-4-8(5-2)7-9-6-3/h4,6,8H,1,5,7H2,2-3H3/b9-6+
InChIKeyYLZROVHGSNTIAR-RMKNXTFCSA-N
MW125.21 g/mol
LogP2.29
Rot. Bonds4

About N-(2-ethylbut-3-enyl)ethanimine

N-(2-ethylbut-3-enyl)ethanimine (PubChem CID 145012064) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-(2-ethylbut-3-enyl)ethanimine.

Molecular Properties

Compound NameN-(2-ethylbut-3-enyl)ethanimine
PubChem CID145012064
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-(2-ethylbut-3-enyl)ethanimine
SMILESC=CC(CC)C/N=C/C
InChIInChI=1S/C8H15N/c1-4-8(5-2)7-9-6-3/h4,6,8H,1,5,7H2,2-3H3/b9-6+
InChIKeyYLZROVHGSNTIAR-RMKNXTFCSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.29
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

N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine
CID 143818498
(1E)-N-(2-Methylpropyl)pent-4-en-1-imine
CID 13402840
Allyl-(2-methyl-pent-4-enylidene)-amine
CID 13443029
3-Ethyl-2,3-dihydropyridine
CID 54500796
4-methyl-3,4-dihydro-2H-azepine
CID 68099595
3-methyl-3,4-dihydro-2H-azepine
CID 68099596
N-[(Z)-3-methylpent-1-enyl]ethanimine
CID 89195550
(Z)-N,4-dimethylhex-2-en-1-imine
CID 89195551
N-(3-methylpent-4-en-2-yl)ethanimine
CID 89603941
(E)-N,2-dimethylhex-4-en-1-imine
CID 89899370
N-(3-methylpent-1-enyl)ethanimine
CID 90890469
N-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine
CID 91164354

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbut-3-enyl)ethanimine?
The IUPAC name of N-(2-ethylbut-3-enyl)ethanimine (CID 145012064) is N-(2-ethylbut-3-enyl)ethanimine.
What is the SMILES notation for N-(2-ethylbut-3-enyl)ethanimine?
The canonical SMILES for N-(2-ethylbut-3-enyl)ethanimine is C=CC(CC)C/N=C/C.
What is the InChIKey of N-(2-ethylbut-3-enyl)ethanimine?
The InChIKey is YLZROVHGSNTIAR-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15N/c1-4-8(5-2)7-9-6-3/h4,6,8H,1,5,7H2,2-3H3/b9-6+.
What are the key properties of N-(2-ethylbut-3-enyl)ethanimine?
N-(2-ethylbut-3-enyl)ethanimine has a molecular weight of 125.21 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbut-3-enyl)ethanimine is sourced from PubChem (CID 145012064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).