N-[(E)-3-methylbut-1-enyl]ethanimine

C7H13N — CID 14792735

IUPACN-[(E)-3-methylbut-1-enyl]ethanimine
SMILESC/C=N/C=C/C(C)C
InChIInChI=1S/C7H13N/c1-4-8-6-5-7(2)3/h4-7H,1-3H3/b6-5+,8-4+
InChIKeySIHNZSHSGYOLLY-PTFSRLPTSA-N
MW111.19 g/mol
LogP2.25
Rot. Bonds2

About N-[(E)-3-methylbut-1-enyl]ethanimine

N-[(E)-3-methylbut-1-enyl]ethanimine (PubChem CID 14792735) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-[(E)-3-methylbut-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-3-methylbut-1-enyl]ethanimine
PubChem CID14792735
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-[(E)-3-methylbut-1-enyl]ethanimine
SMILESC/C=N/C=C/C(C)C
InChIInChI=1S/C7H13N/c1-4-8-6-5-7(2)3/h4-7H,1-3H3/b6-5+,8-4+
InChIKeySIHNZSHSGYOLLY-PTFSRLPTSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.25
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

(1E)-N-(Prop-1-en-1-yl)propan-1-imine
CID 54113889
3-Fluoro-4-methyl-3,4-dihydropyridine
CID 134377478
4-Azanonatriene
CID 129782426
N-[(Z)-but-1-enyl]-2-fluoroethanimine
CID 142996602
3-methyl-3H-pyrrole
CID 10953038
N-[(E)-prop-1-enyl]propan-1-imine
CID 12603153
N-[(E)-prop-1-enyl]ethanimine
CID 13099165
4-Methyl-3,4-dihydropyridine
CID 14979260
4-Ethyl-3,4-dihydropyridine
CID 14979261
3-Methyl-3,4-dihydropyridine
CID 14979268
3-Ethyl-3,4-dihydropyridine
CID 14979269
N-but-3-enylethanimine
CID 15812118

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methylbut-1-enyl]ethanimine?
The IUPAC name of N-[(E)-3-methylbut-1-enyl]ethanimine (CID 14792735) is N-[(E)-3-methylbut-1-enyl]ethanimine.
What is the SMILES notation for N-[(E)-3-methylbut-1-enyl]ethanimine?
The canonical SMILES for N-[(E)-3-methylbut-1-enyl]ethanimine is C/C=N/C=C/C(C)C.
What is the InChIKey of N-[(E)-3-methylbut-1-enyl]ethanimine?
The InChIKey is SIHNZSHSGYOLLY-PTFSRLPTSA-N. The full InChI is InChI=1S/C7H13N/c1-4-8-6-5-7(2)3/h4-7H,1-3H3/b6-5+,8-4+.
What are the key properties of N-[(E)-3-methylbut-1-enyl]ethanimine?
N-[(E)-3-methylbut-1-enyl]ethanimine has a molecular weight of 111.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-methylbut-1-enyl]ethanimine is sourced from PubChem (CID 14792735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).