benzyl N-[2-(methylamino)ethyl]carbamate

C11H16N2O2 — CID 10822258

IUPACbenzyl N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)OCc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-12-7-8-13-11(14)15-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,13,14)
InChIKeyMJBYFHHGDZWPJP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.13
Rot. Bonds5

About benzyl N-[2-(methylamino)ethyl]carbamate

benzyl N-[2-(methylamino)ethyl]carbamate (PubChem CID 10822258) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is benzyl N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(methylamino)ethyl]carbamate
PubChem CID10822258
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namebenzyl N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)OCc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-12-7-8-13-11(14)15-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,13,14)
InChIKeyMJBYFHHGDZWPJP-UHFFFAOYSA-N
XLogP1.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
benzyl N-(2-benzamidoethyl)carbamate
CID 12715872
benzyl N-[2-(butanoylamino)ethyl]carbamate
CID 130774623
2-[2-(phenylmethoxycarbonylamino)ethylamino]acetic acid
CID 10354829
benzyl N-(3-deuteriopropyl)carbamate
CID 173247351
benzyl N-[2-(methylsulfamoyl)ethyl]carbamate
CID 110292911
benzyl N-(2-methylsulfonyl(1,2-13C2)ethyl)carbamate
CID 57370115
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(methylamino)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(methylamino)ethyl]carbamate (CID 10822258) is benzyl N-[2-(methylamino)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(methylamino)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(methylamino)ethyl]carbamate is CNCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(methylamino)ethyl]carbamate?
The InChIKey is MJBYFHHGDZWPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-7-8-13-11(14)15-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,13,14).
What are the key properties of benzyl N-[2-(methylamino)ethyl]carbamate?
benzyl N-[2-(methylamino)ethyl]carbamate has a molecular weight of 208.26 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 10822258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).