N-methyl-2-(prop-2-enylideneamino)ethanamine

C6H12N2 — CID 143321969

IUPACN-methyl-2-(prop-2-enylideneamino)ethanamine
SMILESC=C/C=N/CCNC
InChIInChI=1S/C6H12N2/c1-3-4-8-6-5-7-2/h3-4,7H,1,5-6H2,2H3/b8-4+
InChIKeyDMRGWTOQDJARMF-XBXARRHUSA-N
MW112.18 g/mol
LogP0.46
Rot. Bonds4

About N-methyl-2-(prop-2-enylideneamino)ethanamine

N-methyl-2-(prop-2-enylideneamino)ethanamine (PubChem CID 143321969) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-methyl-2-(prop-2-enylideneamino)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(prop-2-enylideneamino)ethanamine
PubChem CID143321969
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-methyl-2-(prop-2-enylideneamino)ethanamine
SMILESC=C/C=N/CCNC
InChIInChI=1S/C6H12N2/c1-3-4-8-6-5-7-2/h3-4,7H,1,5-6H2,2H3/b8-4+
InChIKeyDMRGWTOQDJARMF-XBXARRHUSA-N
XLogP0.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.46
H-Bond Donors ≤ 51
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-N'-prop-2-enylidenepropane-1,3-diimine
CID 142446042
N-octylprop-2-en-1-imine
CID 174329856
2-[(1Z)-buta-1,3-dienyl]sulfanyl-N-methylethanamine;ethane
CID 142050363
N-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine
CID 137390626
1-(methylamino)hept-6-en-3-one
CID 116561070
(3Z)-3-(ethylhydrazinylidene)-N-methylpropan-1-amine
CID 172983125
N-[(Z)-prop-2-enylideneamino]propan-1-amine
CID 166786300
[4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite
CID 172602321
N'-[(3E)-3-chlorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 142349508
N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine
CID 101461429
2-ethenylsilyl-N-methylethanamine
CID 123658851
N-methylbut-3-en-1-amine;1,4-xylene
CID 153363449

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(prop-2-enylideneamino)ethanamine?
The IUPAC name of N-methyl-2-(prop-2-enylideneamino)ethanamine (CID 143321969) is N-methyl-2-(prop-2-enylideneamino)ethanamine.
What is the SMILES notation for N-methyl-2-(prop-2-enylideneamino)ethanamine?
The canonical SMILES for N-methyl-2-(prop-2-enylideneamino)ethanamine is C=C/C=N/CCNC.
What is the InChIKey of N-methyl-2-(prop-2-enylideneamino)ethanamine?
The InChIKey is DMRGWTOQDJARMF-XBXARRHUSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-8-6-5-7-2/h3-4,7H,1,5-6H2,2H3/b8-4+.
What are the key properties of N-methyl-2-(prop-2-enylideneamino)ethanamine?
N-methyl-2-(prop-2-enylideneamino)ethanamine has a molecular weight of 112.18 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(prop-2-enylideneamino)ethanamine is sourced from PubChem (CID 143321969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).