tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride

C14H23ClN2O2 — CID 14418525

IUPACtert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCCNCc1ccccc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-14(2,3)18-13(17)16-10-9-15-11-12-7-5-4-6-8-12;/h4-8,15H,9-11H2,1-3H3,(H,16,17);1H
InChIKeyBQSIYDULWOXMLG-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.72
Rot. Bonds5

About tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride

tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride (PubChem CID 14418525) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
PubChem CID14418525
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Nametert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCCNCc1ccccc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-14(2,3)18-13(17)16-10-9-15-11-12-7-5-4-6-8-12;/h4-8,15H,9-11H2,1-3H3,(H,16,17);1H
InChIKeyBQSIYDULWOXMLG-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.72
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

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CID 10776134
tert-butyl 2-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]phenyl]benzoate
CID 66813812
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate
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phenyl N-[2-(benzylamino)ethyl]carbamate
CID 59371189
tert-butyl N-[2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
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tert-butyl N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]carbamate
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tert-butyl N-(2-benzylhydrazinyl)carbamate
CID 69172873

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride (CID 14418525) is tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride is CC(C)(C)OC(=O)NCCNCc1ccccc1.Cl.
What is the InChIKey of tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride?
The InChIKey is BQSIYDULWOXMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-14(2,3)18-13(17)16-10-9-15-11-12-7-5-4-6-8-12;/h4-8,15H,9-11H2,1-3H3,(H,16,17);1H.
What are the key properties of tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride?
tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride is sourced from PubChem (CID 14418525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).