2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide

C8H19N5O — CID 90245990

IUPAC2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide
SMILESCNCN(C)/C(N)=N/C(C)C(=O)NC
InChIInChI=1S/C8H19N5O/c1-6(7(14)11-3)12-8(9)13(4)5-10-2/h6,10H,5H2,1-4H3,(H2,9,12)(H,11,14)
InChIKeyXPPICTCWUZQKNW-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.46
Rot. Bonds4

About 2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide

2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide (PubChem CID 90245990) has the molecular formula C8H19N5O and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide
PubChem CID90245990
Molecular FormulaC8H19N5O
Molecular Weight201.27 g/mol
Exact Mass201.16
IUPAC Name2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide
SMILESCNCN(C)/C(N)=N/C(C)C(=O)NC
InChIInChI=1S/C8H19N5O/c1-6(7(14)11-3)12-8(9)13(4)5-10-2/h6,10H,5H2,1-4H3,(H2,9,12)(H,11,14)
InChIKeyXPPICTCWUZQKNW-UHFFFAOYSA-N
XLogP-1.46
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide?
The IUPAC name of 2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide (CID 90245990) is 2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide is CNCN(C)/C(N)=N/C(C)C(=O)NC.
What is the InChIKey of 2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide?
The InChIKey is XPPICTCWUZQKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O/c1-6(7(14)11-3)12-8(9)13(4)5-10-2/h6,10H,5H2,1-4H3,(H2,9,12)(H,11,14).
What are the key properties of 2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide?
2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide has a molecular weight of 201.27 g/mol, XLogP of -1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide is sourced from PubChem (CID 90245990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).