[amino(methylamino)methyl] carbamate

C3H9N3O2 — CID 89305252

IUPAC[amino(methylamino)methyl] carbamate
SMILESCNC(N)OC(N)=O
InChIInChI=1S/C3H9N3O2/c1-6-2(4)8-3(5)7/h2,6H,4H2,1H3,(H2,5,7)
InChIKeyKWVFOLNVCSZQKW-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.46
Rot. Bonds2

About [amino(methylamino)methyl] carbamate

[amino(methylamino)methyl] carbamate (PubChem CID 89305252) has the molecular formula C3H9N3O2 and a molecular weight of 119.12 g/mol. Its IUPAC name is [amino(methylamino)methyl] carbamate.

Molecular Properties

Compound Name[amino(methylamino)methyl] carbamate
PubChem CID89305252
Molecular FormulaC3H9N3O2
Molecular Weight119.12 g/mol
Exact Mass119.07
IUPAC Name[amino(methylamino)methyl] carbamate
SMILESCNC(N)OC(N)=O
InChIInChI=1S/C3H9N3O2/c1-6-2(4)8-3(5)7/h2,6H,4H2,1H3,(H2,5,7)
InChIKeyKWVFOLNVCSZQKW-UHFFFAOYSA-N
XLogP-1.46
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino(methylamino)methyl] carbamate?
The IUPAC name of [amino(methylamino)methyl] carbamate (CID 89305252) is [amino(methylamino)methyl] carbamate.
What is the SMILES notation for [amino(methylamino)methyl] carbamate?
The canonical SMILES for [amino(methylamino)methyl] carbamate is CNC(N)OC(N)=O.
What is the InChIKey of [amino(methylamino)methyl] carbamate?
The InChIKey is KWVFOLNVCSZQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O2/c1-6-2(4)8-3(5)7/h2,6H,4H2,1H3,(H2,5,7).
What are the key properties of [amino(methylamino)methyl] carbamate?
[amino(methylamino)methyl] carbamate has a molecular weight of 119.12 g/mol, XLogP of -1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(methylamino)methyl] carbamate is sourced from PubChem (CID 89305252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).