2-methyl-N-prop-1-enylprop-2-en-1-imine

C7H11N — CID 90881872

IUPAC2-methyl-N-prop-1-enylprop-2-en-1-imine
SMILESC=C(C)/C=N/C=CC
InChIInChI=1S/C7H11N/c1-4-5-8-6-7(2)3/h4-6H,2H2,1,3H3/b5-4?,8-6+
InChIKeyQPSZVPZYMXTURX-MJZAGPDTSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds2

About 2-methyl-N-prop-1-enylprop-2-en-1-imine

2-methyl-N-prop-1-enylprop-2-en-1-imine (PubChem CID 90881872) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-methyl-N-prop-1-enylprop-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-N-prop-1-enylprop-2-en-1-imine
PubChem CID90881872
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-methyl-N-prop-1-enylprop-2-en-1-imine
SMILESC=C(C)/C=N/C=CC
InChIInChI=1S/C7H11N/c1-4-5-8-6-7(2)3/h4-6H,2H2,1,3H3/b5-4?,8-6+
InChIKeyQPSZVPZYMXTURX-MJZAGPDTSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
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
N-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 91606293
(Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine
CID 137446288
(E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine
CID 142010094
2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride
CID 143443057
N-ethenyl-2-methylprop-2-enimidoyl fluoride
CID 143449324
(Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine
CID 143567891
N-[(E)-2-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine
CID 143939006
2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 155402733
(E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine
CID 167158578
N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine
CID 173786787
1-Propen-1-amine, N-(2,2-dimethylpropylidene)-, (E,E)-
CID 5463448

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-1-enylprop-2-en-1-imine?
The IUPAC name of 2-methyl-N-prop-1-enylprop-2-en-1-imine (CID 90881872) is 2-methyl-N-prop-1-enylprop-2-en-1-imine.
What is the SMILES notation for 2-methyl-N-prop-1-enylprop-2-en-1-imine?
The canonical SMILES for 2-methyl-N-prop-1-enylprop-2-en-1-imine is C=C(C)/C=N/C=CC.
What is the InChIKey of 2-methyl-N-prop-1-enylprop-2-en-1-imine?
The InChIKey is QPSZVPZYMXTURX-MJZAGPDTSA-N. The full InChI is InChI=1S/C7H11N/c1-4-5-8-6-7(2)3/h4-6H,2H2,1,3H3/b5-4?,8-6+.
What are the key properties of 2-methyl-N-prop-1-enylprop-2-en-1-imine?
2-methyl-N-prop-1-enylprop-2-en-1-imine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-1-enylprop-2-en-1-imine is sourced from PubChem (CID 90881872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).