2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine

C8H14N2 — CID 135292269

IUPAC2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine
SMILESC=N/C=C/N=C/C(C)CC
InChIInChI=1S/C8H14N2/c1-4-8(2)7-10-6-5-9-3/h5-8H,3-4H2,1-2H3/b6-5+,10-7+
InChIKeyIBRMYWHTZVFSLP-WEYXYWBQSA-N
MW138.21 g/mol
LogP2.28
Rot. Bonds4

About 2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine

2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine (PubChem CID 135292269) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine.

Molecular Properties

Compound Name2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine
PubChem CID135292269
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine
SMILESC=N/C=C/N=C/C(C)CC
InChIInChI=1S/C8H14N2/c1-4-8(2)7-10-6-5-9-3/h5-8H,3-4H2,1-2H3/b6-5+,10-7+
InChIKeyIBRMYWHTZVFSLP-WEYXYWBQSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-2-fluoroethenyl]-2-methylpropan-1-imine
CID 123799687
N-ethenyl-2-methylpropan-1-imine
CID 14792733
N-ethenyl-3-methylbutan-1-imine
CID 14792734
carbanide;6-propan-2-yl-2H-pyrazin-2-ide;tungsten(2+)
CID 57856149
carbanide;5-propan-2-yl-2H-pyrazin-2-ide;tungsten(2+)
CID 57856159
2-methyl-N-[(Z)-prop-1-enyl]butan-1-imine
CID 89195552
6-propan-2-yl-6H-1,4-diazepine
CID 89595394
(2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine
CID 121329199
N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine
CID 122667549
(Z)-2-(2,3-dimethylbutylideneamino)ethenamine
CID 123374523
N-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine
CID 123687722
2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine
CID 123916576

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine?
The IUPAC name of 2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine (CID 135292269) is 2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine.
What is the SMILES notation for 2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine?
The canonical SMILES for 2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine is C=N/C=C/N=C/C(C)CC.
What is the InChIKey of 2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine?
The InChIKey is IBRMYWHTZVFSLP-WEYXYWBQSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(2)7-10-6-5-9-3/h5-8H,3-4H2,1-2H3/b6-5+,10-7+.
What are the key properties of 2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine?
2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine has a molecular weight of 138.21 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine is sourced from PubChem (CID 135292269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).