N'-methyl-N-[(E)-prop-1-enyl]ethanimidamide

C6H12N2 — CID 123741957

IUPACN'-methyl-N-[(E)-prop-1-enyl]ethanimidamide
SMILESC/C=C/N/C(C)=N/C
InChIInChI=1S/C6H12N2/c1-4-5-8-6(2)7-3/h4-5H,1-3H3,(H,7,8)/b5-4+
InChIKeyBFXVJZHDZKVGOS-SNAWJCMRSA-N
MW112.18 g/mol
LogP1.16
Rot. Bonds1

About N'-methyl-N-[(E)-prop-1-enyl]ethanimidamide

N'-methyl-N-[(E)-prop-1-enyl]ethanimidamide (PubChem CID 123741957) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N'-methyl-N-[(E)-prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(E)-prop-1-enyl]ethanimidamide
PubChem CID123741957
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN'-methyl-N-[(E)-prop-1-enyl]ethanimidamide
SMILESC/C=C/N/C(C)=N/C
InChIInChI=1S/C6H12N2/c1-4-5-8-6(2)7-3/h4-5H,1-3H3,(H,7,8)/b5-4+
InChIKeyBFXVJZHDZKVGOS-SNAWJCMRSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 144826412
N-[(1E)-2-fluorobuta-1,3-dienyl]-N'-methylethanimidamide
CID 156349099
4-fluoro-2-methyl-1H-pyrimidin-4-amine
CID 176199382
(4E,8E)-7-fluoro-2-methyl-6,7-dihydro-1H-1,3-diazonine
CID 144356783
N'-methyl-N-prop-2-enylethanimidamide
CID 12683067
2-Methyl-1,4-dihydropyrimidine
CID 13432429
2-methyl-1H-imidazol-1-ium
CID 19047642
carbanide;N-methyl-2H-pyrimidin-2-id-4-amine;vanadium(2+)
CID 20644795
1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
N'-ethyl-N-prop-1-enylmethanimidamide
CID 54520223
2-Methyl-1H-1,3-diazepine
CID 56992381
2-ethenyl-1H-1,3-diazepine
CID 56992451

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(E)-prop-1-enyl]ethanimidamide?
The IUPAC name of N'-methyl-N-[(E)-prop-1-enyl]ethanimidamide (CID 123741957) is N'-methyl-N-[(E)-prop-1-enyl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[(E)-prop-1-enyl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[(E)-prop-1-enyl]ethanimidamide is C/C=C/N/C(C)=N/C.
What is the InChIKey of N'-methyl-N-[(E)-prop-1-enyl]ethanimidamide?
The InChIKey is BFXVJZHDZKVGOS-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-5-8-6(2)7-3/h4-5H,1-3H3,(H,7,8)/b5-4+.
What are the key properties of N'-methyl-N-[(E)-prop-1-enyl]ethanimidamide?
N'-methyl-N-[(E)-prop-1-enyl]ethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(E)-prop-1-enyl]ethanimidamide is sourced from PubChem (CID 123741957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).