N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide

C7H14N4 — CID 90453085

IUPACN'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide
SMILESC/N=C/N/C=C(\C)N/C=N/C
InChIInChI=1S/C7H14N4/c1-7(11-6-9-3)4-10-5-8-2/h4-6H,1-3H3,(H,8,10)(H,9,11)/b7-4+
InChIKeyWHVJQKWCOWWEPZ-QPJJXVBHSA-N
MW154.22 g/mol
LogP0.34
Rot. Bonds4

About N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide

N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide (PubChem CID 90453085) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide
PubChem CID90453085
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide
SMILESC/N=C/N/C=C(\C)N/C=N/C
InChIInChI=1S/C7H14N4/c1-7(11-6-9-3)4-10-5-8-2/h4-6H,1-3H3,(H,8,10)(H,9,11)/b7-4+
InChIKeyWHVJQKWCOWWEPZ-QPJJXVBHSA-N
XLogP0.34
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.34
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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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide?
The IUPAC name of N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide (CID 90453085) is N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide is C/N=C/N/C=C(\C)N/C=N/C.
What is the InChIKey of N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide?
The InChIKey is WHVJQKWCOWWEPZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H14N4/c1-7(11-6-9-3)4-10-5-8-2/h4-6H,1-3H3,(H,8,10)(H,9,11)/b7-4+.
What are the key properties of N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide?
N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide has a molecular weight of 154.22 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide is sourced from PubChem (CID 90453085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).