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

C5H13N5O — CID 118500669

IUPAC2-amino-3-(diaminomethylideneamino)-N-methylpropanamide
SMILESCNC(=O)C(N)CN=C(N)N
InChIInChI=1S/C5H13N5O/c1-9-4(11)3(6)2-10-5(7)8/h3H,2,6H2,1H3,(H,9,11)(H4,7,8,10)
InChIKeyNAXWLJLLSRMTAM-UHFFFAOYSA-N
MW159.19 g/mol
LogP-2.67
Rot. Bonds3

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

2-amino-3-(diaminomethylideneamino)-N-methylpropanamide (PubChem CID 118500669) has the molecular formula C5H13N5O and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-amino-3-(diaminomethylideneamino)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-(diaminomethylideneamino)-N-methylpropanamide
PubChem CID118500669
Molecular FormulaC5H13N5O
Molecular Weight159.19 g/mol
Exact Mass159.11
IUPAC Name2-amino-3-(diaminomethylideneamino)-N-methylpropanamide
SMILESCNC(=O)C(N)CN=C(N)N
InChIInChI=1S/C5H13N5O/c1-9-4(11)3(6)2-10-5(7)8/h3H,2,6H2,1H3,(H,9,11)(H4,7,8,10)
InChIKeyNAXWLJLLSRMTAM-UHFFFAOYSA-N
XLogP-2.67
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-2.67
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-amino-3-(diaminomethylideneamino)-N-methylpropanamide?
The IUPAC name of 2-amino-3-(diaminomethylideneamino)-N-methylpropanamide (CID 118500669) is 2-amino-3-(diaminomethylideneamino)-N-methylpropanamide.
What is the SMILES notation for 2-amino-3-(diaminomethylideneamino)-N-methylpropanamide?
The canonical SMILES for 2-amino-3-(diaminomethylideneamino)-N-methylpropanamide is CNC(=O)C(N)CN=C(N)N.
What is the InChIKey of 2-amino-3-(diaminomethylideneamino)-N-methylpropanamide?
The InChIKey is NAXWLJLLSRMTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5O/c1-9-4(11)3(6)2-10-5(7)8/h3H,2,6H2,1H3,(H,9,11)(H4,7,8,10).
What are the key properties of 2-amino-3-(diaminomethylideneamino)-N-methylpropanamide?
2-amino-3-(diaminomethylideneamino)-N-methylpropanamide has a molecular weight of 159.19 g/mol, XLogP of -2.67, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(diaminomethylideneamino)-N-methylpropanamide is sourced from PubChem (CID 118500669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).