(2-aminoethylamino) N-aminocarbamate

C3H10N4O2 — CID 174871175

IUPAC(2-aminoethylamino) N-aminocarbamate
SMILESNCCNOC(=O)NN
InChIInChI=1S/C3H10N4O2/c4-1-2-6-9-3(8)7-5/h6H,1-2,4-5H2,(H,7,8)
InChIKeySKISYCQPARUIPO-UHFFFAOYSA-N
MW134.14 g/mol
LogP-1.95
Rot. Bonds3

About (2-aminoethylamino) N-aminocarbamate

(2-aminoethylamino) N-aminocarbamate (PubChem CID 174871175) has the molecular formula C3H10N4O2 and a molecular weight of 134.14 g/mol. Its IUPAC name is (2-aminoethylamino) N-aminocarbamate.

Molecular Properties

Compound Name(2-aminoethylamino) N-aminocarbamate
PubChem CID174871175
Molecular FormulaC3H10N4O2
Molecular Weight134.14 g/mol
Exact Mass134.08
IUPAC Name(2-aminoethylamino) N-aminocarbamate
SMILESNCCNOC(=O)NN
InChIInChI=1S/C3H10N4O2/c4-1-2-6-9-3(8)7-5/h6H,1-2,4-5H2,(H,7,8)
InChIKeySKISYCQPARUIPO-UHFFFAOYSA-N
XLogP-1.95
TPSA102.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 (2-aminoethylamino) N-aminocarbamate?
The IUPAC name of (2-aminoethylamino) N-aminocarbamate (CID 174871175) is (2-aminoethylamino) N-aminocarbamate.
What is the SMILES notation for (2-aminoethylamino) N-aminocarbamate?
The canonical SMILES for (2-aminoethylamino) N-aminocarbamate is NCCNOC(=O)NN.
What is the InChIKey of (2-aminoethylamino) N-aminocarbamate?
The InChIKey is SKISYCQPARUIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4O2/c4-1-2-6-9-3(8)7-5/h6H,1-2,4-5H2,(H,7,8).
What are the key properties of (2-aminoethylamino) N-aminocarbamate?
(2-aminoethylamino) N-aminocarbamate has a molecular weight of 134.14 g/mol, XLogP of -1.95, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoethylamino) N-aminocarbamate is sourced from PubChem (CID 174871175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).