amino N-(aminomethyl)carbamate

C2H7N3O2 — CID 123895352

IUPACamino N-(aminomethyl)carbamate
SMILESNCNC(=O)ON
InChIInChI=1S/C2H7N3O2/c3-1-5-2(6)7-4/h1,3-4H2,(H,5,6)
InChIKeyCBRWGTYPHOXQFB-UHFFFAOYSA-N
MW105.10 g/mol
LogP-1.50
Rot. Bonds1

About amino N-(aminomethyl)carbamate

amino N-(aminomethyl)carbamate (PubChem CID 123895352) has the molecular formula C2H7N3O2 and a molecular weight of 105.10 g/mol. Its IUPAC name is amino N-(aminomethyl)carbamate.

Molecular Properties

Compound Nameamino N-(aminomethyl)carbamate
PubChem CID123895352
Molecular FormulaC2H7N3O2
Molecular Weight105.10 g/mol
Exact Mass105.05
IUPAC Nameamino N-(aminomethyl)carbamate
SMILESNCNC(=O)ON
InChIInChI=1S/C2H7N3O2/c3-1-5-2(6)7-4/h1,3-4H2,(H,5,6)
InChIKeyCBRWGTYPHOXQFB-UHFFFAOYSA-N
XLogP-1.50
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.10
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino N-(aminomethyl)carbamate?
The IUPAC name of amino N-(aminomethyl)carbamate (CID 123895352) is amino N-(aminomethyl)carbamate.
What is the SMILES notation for amino N-(aminomethyl)carbamate?
The canonical SMILES for amino N-(aminomethyl)carbamate is NCNC(=O)ON.
What is the InChIKey of amino N-(aminomethyl)carbamate?
The InChIKey is CBRWGTYPHOXQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3O2/c3-1-5-2(6)7-4/h1,3-4H2,(H,5,6).
What are the key properties of amino N-(aminomethyl)carbamate?
amino N-(aminomethyl)carbamate has a molecular weight of 105.10 g/mol, XLogP of -1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-(aminomethyl)carbamate is sourced from PubChem (CID 123895352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).