benzyl N-(2-aminoethyl)carbamate

C10H14N2O2 — CID 2794257

IUPACbenzyl N-(2-aminoethyl)carbamate
SMILESNCCNC(=O)OCc1ccccc1
InChIInChI=1S/C10H14N2O2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,6-8,11H2,(H,12,13)
InChIKeyQMMFTRJQCCVPCE-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.87
Rot. Bonds4

About benzyl N-(2-aminoethyl)carbamate

benzyl N-(2-aminoethyl)carbamate (PubChem CID 2794257) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is benzyl N-(2-aminoethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-aminoethyl)carbamate
PubChem CID2794257
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namebenzyl N-(2-aminoethyl)carbamate
SMILESNCCNC(=O)OCc1ccccc1
InChIInChI=1S/C10H14N2O2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,6-8,11H2,(H,12,13)
InChIKeyQMMFTRJQCCVPCE-UHFFFAOYSA-N
XLogP0.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-aminoethyl)carbamate?
The IUPAC name of benzyl N-(2-aminoethyl)carbamate (CID 2794257) is benzyl N-(2-aminoethyl)carbamate.
What is the SMILES notation for benzyl N-(2-aminoethyl)carbamate?
The canonical SMILES for benzyl N-(2-aminoethyl)carbamate is NCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-aminoethyl)carbamate?
The InChIKey is QMMFTRJQCCVPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,6-8,11H2,(H,12,13).
What are the key properties of benzyl N-(2-aminoethyl)carbamate?
benzyl N-(2-aminoethyl)carbamate has a molecular weight of 194.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-aminoethyl)carbamate is sourced from PubChem (CID 2794257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).