N-methyl-3-methyliminoprop-1-en-1-amine

C5H10N2 — CID 85203886

IUPACN-methyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=CNC
InChIInChI=1S/C5H10N2/c1-6-4-3-5-7-2/h3-6H,1-2H3/b4-3?,7-5+
InChIKeyCBAASNDOUCSTBP-LDPJEHJDSA-N
MW98.15 g/mol
LogP0.42
Rot. Bonds2

About N-methyl-3-methyliminoprop-1-en-1-amine

N-methyl-3-methyliminoprop-1-en-1-amine (PubChem CID 85203886) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N-methyl-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-methyliminoprop-1-en-1-amine
PubChem CID85203886
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN-methyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=CNC
InChIInChI=1S/C5H10N2/c1-6-4-3-5-7-2/h3-6H,1-2H3/b4-3?,7-5+
InChIKeyCBAASNDOUCSTBP-LDPJEHJDSA-N
XLogP0.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-1,4-Diazepine
CID 12312963
methanaminium, N-[(2E)-3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 638326
Penta-1,3-diene, 1-ethylamino-5-ethylimino-
CID 74051061
Dihydropyrimidine
CID 1056
Dihydropyrimidinamin
CID 5231612
2,3-Dihydro-1H-1,4-diazepine
CID 12462155
Pyrimidine, 1,2-dihydro-2-methylene-(9CI)
CID 21458438
Hydro-1,4-diazepine hydrochloride
CID 22390470
N-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 91606293
Dihydropyrimidine hydrochloride
CID 91884946
N-methyl-2-aminopyrimidine
CID 121273779
1H-pyrimidiniumchloride
CID 129648134

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methyliminoprop-1-en-1-amine?
The IUPAC name of N-methyl-3-methyliminoprop-1-en-1-amine (CID 85203886) is N-methyl-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for N-methyl-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for N-methyl-3-methyliminoprop-1-en-1-amine is C/N=C/C=CNC.
What is the InChIKey of N-methyl-3-methyliminoprop-1-en-1-amine?
The InChIKey is CBAASNDOUCSTBP-LDPJEHJDSA-N. The full InChI is InChI=1S/C5H10N2/c1-6-4-3-5-7-2/h3-6H,1-2H3/b4-3?,7-5+.
What are the key properties of N-methyl-3-methyliminoprop-1-en-1-amine?
N-methyl-3-methyliminoprop-1-en-1-amine has a molecular weight of 98.15 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 85203886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).