deuterio N-(aminomethyl)carbamate

C2H6N2O2 — CID 140714222

IUPACdeuterio N-(aminomethyl)carbamate
SMILES[2H]OC(=O)NCN
InChIInChI=1S/C2H6N2O2/c3-1-4-2(5)6/h4H,1,3H2,(H,5,6)/i/hD
InChIKeyHHFJXGNFTBSDLF-DYCDLGHISA-N
MW91.09 g/mol
LogP-0.83
Rot. Bonds1

About deuterio N-(aminomethyl)carbamate

deuterio N-(aminomethyl)carbamate (PubChem CID 140714222) has the molecular formula C2H6N2O2 and a molecular weight of 91.09 g/mol. Its IUPAC name is deuterio N-(aminomethyl)carbamate.

Molecular Properties

Compound Namedeuterio N-(aminomethyl)carbamate
PubChem CID140714222
Molecular FormulaC2H6N2O2
Molecular Weight91.09 g/mol
Exact Mass91.05
IUPAC Namedeuterio N-(aminomethyl)carbamate
SMILES[2H]OC(=O)NCN
InChIInChI=1S/C2H6N2O2/c3-1-4-2(5)6/h4H,1,3H2,(H,5,6)/i/hD
InChIKeyHHFJXGNFTBSDLF-DYCDLGHISA-N
XLogP-0.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.09
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 deuterio N-(aminomethyl)carbamate?
The IUPAC name of deuterio N-(aminomethyl)carbamate (CID 140714222) is deuterio N-(aminomethyl)carbamate.
What is the SMILES notation for deuterio N-(aminomethyl)carbamate?
The canonical SMILES for deuterio N-(aminomethyl)carbamate is [2H]OC(=O)NCN.
What is the InChIKey of deuterio N-(aminomethyl)carbamate?
The InChIKey is HHFJXGNFTBSDLF-DYCDLGHISA-N. The full InChI is InChI=1S/C2H6N2O2/c3-1-4-2(5)6/h4H,1,3H2,(H,5,6)/i/hD.
What are the key properties of deuterio N-(aminomethyl)carbamate?
deuterio N-(aminomethyl)carbamate has a molecular weight of 91.09 g/mol, XLogP of -0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio N-(aminomethyl)carbamate is sourced from PubChem (CID 140714222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).