benzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate

C15H26N2O2 — CID 165115544

IUPACbenzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate
SMILESCCN(CCN)C(=O)OC(C)(C)C.c1ccccc1
InChIInChI=1S/C9H20N2O2.C6H6/c1-5-11(7-6-10)8(12)13-9(2,3)4;1-2-4-6-5-3-1/h5-7,10H2,1-4H3;1-6H
InChIKeyGGCPJUJWADQEDL-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.89
Rot. Bonds3

About benzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate

benzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate (PubChem CID 165115544) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is benzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate.

Molecular Properties

Compound Namebenzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate
PubChem CID165115544
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Namebenzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate
SMILESCCN(CCN)C(=O)OC(C)(C)C.c1ccccc1
InChIInChI=1S/C9H20N2O2.C6H6/c1-5-11(7-6-10)8(12)13-9(2,3)4;1-2-4-6-5-3-1/h5-7,10H2,1-4H3;1-6H
InChIKeyGGCPJUJWADQEDL-UHFFFAOYSA-N
XLogP2.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate?
The IUPAC name of benzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate (CID 165115544) is benzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate.
What is the SMILES notation for benzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate?
The canonical SMILES for benzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate is CCN(CCN)C(=O)OC(C)(C)C.c1ccccc1.
What is the InChIKey of benzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate?
The InChIKey is GGCPJUJWADQEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2.C6H6/c1-5-11(7-6-10)8(12)13-9(2,3)4;1-2-4-6-5-3-1/h5-7,10H2,1-4H3;1-6H.
What are the key properties of benzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate?
benzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate has a molecular weight of 266.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate is sourced from PubChem (CID 165115544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).