N-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide

C7H14N4O — CID 90245698

IUPACN-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide
SMILESC/N=C/N/C=N/C(C)C(=O)NC
InChIInChI=1S/C7H14N4O/c1-6(7(12)9-3)11-5-10-4-8-2/h4-6H,1-3H3,(H,9,12)(H,8,10,11)
InChIKeyPLILNRXLJAOLQY-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.60
Rot. Bonds4

About N-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide

N-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide (PubChem CID 90245698) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is N-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide
PubChem CID90245698
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC NameN-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide
SMILESC/N=C/N/C=N/C(C)C(=O)NC
InChIInChI=1S/C7H14N4O/c1-6(7(12)9-3)11-5-10-4-8-2/h4-6H,1-3H3,(H,9,12)(H,8,10,11)
InChIKeyPLILNRXLJAOLQY-UHFFFAOYSA-N
XLogP-0.60
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-2-[(methyliminomethylamino)methylideneamino]propanamide?
The IUPAC name of N-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide (CID 90245698) is N-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide.
What is the SMILES notation for N-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide?
The canonical SMILES for N-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide is C/N=C/N/C=N/C(C)C(=O)NC.
What is the InChIKey of N-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide?
The InChIKey is PLILNRXLJAOLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-6(7(12)9-3)11-5-10-4-8-2/h4-6H,1-3H3,(H,9,12)(H,8,10,11).
What are the key properties of N-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide?
N-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide has a molecular weight of 170.22 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(methyliminomethylamino)methylideneamino]propanamide is sourced from PubChem (CID 90245698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).