(diaminomethylideneamino)methyl N-methylcarbamate

C4H10N4O2 — CID 121342492

IUPAC(diaminomethylideneamino)methyl N-methylcarbamate
SMILESCNC(=O)OCN=C(N)N
InChIInChI=1S/C4H10N4O2/c1-7-4(9)10-2-8-3(5)6/h2H2,1H3,(H,7,9)(H4,5,6,8)
InChIKeyTVDKRQZIYYYBJO-UHFFFAOYSA-N
MW146.15 g/mol
LogP-1.43
Rot. Bonds2

About (diaminomethylideneamino)methyl N-methylcarbamate

(diaminomethylideneamino)methyl N-methylcarbamate (PubChem CID 121342492) has the molecular formula C4H10N4O2 and a molecular weight of 146.15 g/mol. Its IUPAC name is (diaminomethylideneamino)methyl N-methylcarbamate.

Molecular Properties

Compound Name(diaminomethylideneamino)methyl N-methylcarbamate
PubChem CID121342492
Molecular FormulaC4H10N4O2
Molecular Weight146.15 g/mol
Exact Mass146.08
IUPAC Name(diaminomethylideneamino)methyl N-methylcarbamate
SMILESCNC(=O)OCN=C(N)N
InChIInChI=1S/C4H10N4O2/c1-7-4(9)10-2-8-3(5)6/h2H2,1H3,(H,7,9)(H4,5,6,8)
InChIKeyTVDKRQZIYYYBJO-UHFFFAOYSA-N
XLogP-1.43
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
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 (diaminomethylideneamino)methyl N-methylcarbamate?
The IUPAC name of (diaminomethylideneamino)methyl N-methylcarbamate (CID 121342492) is (diaminomethylideneamino)methyl N-methylcarbamate.
What is the SMILES notation for (diaminomethylideneamino)methyl N-methylcarbamate?
The canonical SMILES for (diaminomethylideneamino)methyl N-methylcarbamate is CNC(=O)OCN=C(N)N.
What is the InChIKey of (diaminomethylideneamino)methyl N-methylcarbamate?
The InChIKey is TVDKRQZIYYYBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2/c1-7-4(9)10-2-8-3(5)6/h2H2,1H3,(H,7,9)(H4,5,6,8).
What are the key properties of (diaminomethylideneamino)methyl N-methylcarbamate?
(diaminomethylideneamino)methyl N-methylcarbamate has a molecular weight of 146.15 g/mol, XLogP of -1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (diaminomethylideneamino)methyl N-methylcarbamate is sourced from PubChem (CID 121342492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).