N-methyl-N'-prop-2-enylidenepropane-1,3-diimine

C7H12N2 — CID 142446042

IUPACN-methyl-N'-prop-2-enylidenepropane-1,3-diimine
SMILESC=C/C=N/CC/C=N/C
InChIInChI=1S/C7H12N2/c1-3-5-9-7-4-6-8-2/h3,5-6H,1,4,7H2,2H3/b8-6+,9-5+
InChIKeyHQUNPPHUCRVMPF-RFSWUZDDSA-N
MW124.19 g/mol
LogP1.33
Rot. Bonds4

About N-methyl-N'-prop-2-enylidenepropane-1,3-diimine

N-methyl-N'-prop-2-enylidenepropane-1,3-diimine (PubChem CID 142446042) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-methyl-N'-prop-2-enylidenepropane-1,3-diimine.

Molecular Properties

Compound NameN-methyl-N'-prop-2-enylidenepropane-1,3-diimine
PubChem CID142446042
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-methyl-N'-prop-2-enylidenepropane-1,3-diimine
SMILESC=C/C=N/CC/C=N/C
InChIInChI=1S/C7H12N2/c1-3-5-9-7-4-6-8-2/h3,5-6H,1,4,7H2,2H3/b8-6+,9-5+
InChIKeyHQUNPPHUCRVMPF-RFSWUZDDSA-N
XLogP1.33
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(prop-2-enylideneamino)ethanamine
CID 143321969
N-octylprop-2-en-1-imine
CID 174329856
2-but-3-enyliminoethanamine
CID 90691802
N,N'-dimethylheptane-1,7-diimine
CID 159923520
N-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine
CID 137390626
ethane;N'-methyl-N-prop-2-enylidenemethanimidamide
CID 143794244
N,N'-dimethylethane-1,2-diimine;N,N'-dipropylethane-1,2-diimine;manganese
CID 140844861
N-methyloctadecan-1-imine
CID 54409483
N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine
CID 90211188
N-[(E)-butylideneamino]-3-methyliminopropan-1-amine
CID 134351173
N-methylhepta-2,4,6-trien-1-imine
CID 54148857
molecular hydrogen;N-[(Z)-prop-2-enylideneamino]ethanamine
CID 143460131

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-prop-2-enylidenepropane-1,3-diimine?
The IUPAC name of N-methyl-N'-prop-2-enylidenepropane-1,3-diimine (CID 142446042) is N-methyl-N'-prop-2-enylidenepropane-1,3-diimine.
What is the SMILES notation for N-methyl-N'-prop-2-enylidenepropane-1,3-diimine?
The canonical SMILES for N-methyl-N'-prop-2-enylidenepropane-1,3-diimine is C=C/C=N/CC/C=N/C.
What is the InChIKey of N-methyl-N'-prop-2-enylidenepropane-1,3-diimine?
The InChIKey is HQUNPPHUCRVMPF-RFSWUZDDSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-9-7-4-6-8-2/h3,5-6H,1,4,7H2,2H3/b8-6+,9-5+.
What are the key properties of N-methyl-N'-prop-2-enylidenepropane-1,3-diimine?
N-methyl-N'-prop-2-enylidenepropane-1,3-diimine has a molecular weight of 124.19 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-prop-2-enylidenepropane-1,3-diimine is sourced from PubChem (CID 142446042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).