2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide

C7H15N5O2 — CID 59872363

IUPAC2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide
SMILESCNC(=O)C(CN=C(N)N)NC(C)=O
InChIInChI=1S/C7H15N5O2/c1-4(13)12-5(6(14)10-2)3-11-7(8)9/h5H,3H2,1-2H3,(H,10,14)(H,12,13)(H4,8,9,11)
InChIKeyUKAQHZNNLMSDIB-UHFFFAOYSA-N
MW201.23 g/mol
LogP-2.49
Rot. Bonds4

About 2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide

2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide (PubChem CID 59872363) has the molecular formula C7H15N5O2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide.

Molecular Properties

Compound Name2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide
PubChem CID59872363
Molecular FormulaC7H15N5O2
Molecular Weight201.23 g/mol
Exact Mass201.12
IUPAC Name2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide
SMILESCNC(=O)C(CN=C(N)N)NC(C)=O
InChIInChI=1S/C7H15N5O2/c1-4(13)12-5(6(14)10-2)3-11-7(8)9/h5H,3H2,1-2H3,(H,10,14)(H,12,13)(H4,8,9,11)
InChIKeyUKAQHZNNLMSDIB-UHFFFAOYSA-N
XLogP-2.49
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
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 2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide?
The IUPAC name of 2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide (CID 59872363) is 2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide.
What is the SMILES notation for 2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide?
The canonical SMILES for 2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide is CNC(=O)C(CN=C(N)N)NC(C)=O.
What is the InChIKey of 2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide?
The InChIKey is UKAQHZNNLMSDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2/c1-4(13)12-5(6(14)10-2)3-11-7(8)9/h5H,3H2,1-2H3,(H,10,14)(H,12,13)(H4,8,9,11).
What are the key properties of 2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide?
2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide has a molecular weight of 201.23 g/mol, XLogP of -2.49, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide is sourced from PubChem (CID 59872363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).