N-ethenyl-3-imino-N'-methylpropanimidamide

C6H11N3 — CID 123981980

IUPACN-ethenyl-3-imino-N'-methylpropanimidamide
SMILES[H]/N=C/C/C(=N\C)NC=C
InChIInChI=1S/C6H11N3/c1-3-9-6(8-2)4-5-7/h3,5,7H,1,4H2,2H3,(H,8,9)/b7-5+
InChIKeyOPGUVOIRBHHPFW-FNORWQNLSA-N
MW125.17 g/mol
LogP0.79
Rot. Bonds3

About N-ethenyl-3-imino-N'-methylpropanimidamide

N-ethenyl-3-imino-N'-methylpropanimidamide (PubChem CID 123981980) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-ethenyl-3-imino-N'-methylpropanimidamide.

Molecular Properties

Compound NameN-ethenyl-3-imino-N'-methylpropanimidamide
PubChem CID123981980
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-ethenyl-3-imino-N'-methylpropanimidamide
SMILES[H]/N=C/C/C(=N\C)NC=C
InChIInChI=1S/C6H11N3/c1-3-9-6(8-2)4-5-7/h3,5,7H,1,4H2,2H3,(H,8,9)/b7-5+
InChIKeyOPGUVOIRBHHPFW-FNORWQNLSA-N
XLogP0.79
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-propan-2-yl-1H-imidazol-1-ium
CID 20276869
1-methanidyl-2-propan-2-yl-1H-imidazol-1-ium
CID 59401491
2-ethyl-1-methyl-1H-imidazol-1-ium bromide
CID 66639976
2-ethyl-1-methyl-1H-imidazol-1-ium chloride
CID 66778723
3-(1-methyl-1H-imidazol-1-ium-2-yl)propan-1-amine bromide
CID 66882482
1-methyl-2-propyl-1H-imidazol-1-ium iodide
CID 66955139
N-ethenyl-N'-ethylethanimidamide
CID 87281065
N-ethenyl-N',2-dimethylpropanimidamide
CID 89040593
N-ethenyl-N'-methylpropanimidamide
CID 91077159
N-ethenyl-N'-methylethanimidamide
CID 91237354
N-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide
CID 123147135
N-ethenyl-N'-propan-2-ylethanimidamide
CID 123229042

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-imino-N'-methylpropanimidamide?
The IUPAC name of N-ethenyl-3-imino-N'-methylpropanimidamide (CID 123981980) is N-ethenyl-3-imino-N'-methylpropanimidamide.
What is the SMILES notation for N-ethenyl-3-imino-N'-methylpropanimidamide?
The canonical SMILES for N-ethenyl-3-imino-N'-methylpropanimidamide is [H]/N=C/C/C(=N\C)NC=C.
What is the InChIKey of N-ethenyl-3-imino-N'-methylpropanimidamide?
The InChIKey is OPGUVOIRBHHPFW-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-9-6(8-2)4-5-7/h3,5,7H,1,4H2,2H3,(H,8,9)/b7-5+.
What are the key properties of N-ethenyl-3-imino-N'-methylpropanimidamide?
N-ethenyl-3-imino-N'-methylpropanimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-imino-N'-methylpropanimidamide is sourced from PubChem (CID 123981980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).