2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide

C8H19N5O — CID 89315102

IUPAC2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide
SMILESCC[C@@H](CNC)NC(=O)CN=C(N)N
InChIInChI=1S/C8H19N5O/c1-3-6(4-11-2)13-7(14)5-12-8(9)10/h6,11H,3-5H2,1-2H3,(H,13,14)(H4,9,10,12)/t6-/m0/s1
InChIKeyOCZIACIXDDGQAD-LURJTMIESA-N
MW201.27 g/mol
LogP-1.63
Rot. Bonds6

About 2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide

2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide (PubChem CID 89315102) has the molecular formula C8H19N5O and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide
PubChem CID89315102
Molecular FormulaC8H19N5O
Molecular Weight201.27 g/mol
Exact Mass201.16
IUPAC Name2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide
SMILESCC[C@@H](CNC)NC(=O)CN=C(N)N
InChIInChI=1S/C8H19N5O/c1-3-6(4-11-2)13-7(14)5-12-8(9)10/h6,11H,3-5H2,1-2H3,(H,13,14)(H4,9,10,12)/t6-/m0/s1
InChIKeyOCZIACIXDDGQAD-LURJTMIESA-N
XLogP-1.63
TPSA105.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.63
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-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide?
The IUPAC name of 2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide (CID 89315102) is 2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide.
What is the SMILES notation for 2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide?
The canonical SMILES for 2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide is CC[C@@H](CNC)NC(=O)CN=C(N)N.
What is the InChIKey of 2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide?
The InChIKey is OCZIACIXDDGQAD-LURJTMIESA-N. The full InChI is InChI=1S/C8H19N5O/c1-3-6(4-11-2)13-7(14)5-12-8(9)10/h6,11H,3-5H2,1-2H3,(H,13,14)(H4,9,10,12)/t6-/m0/s1.
What are the key properties of 2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide?
2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide has a molecular weight of 201.27 g/mol, XLogP of -1.63, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide is sourced from PubChem (CID 89315102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).