tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride

C8H19ClN2O2 — CID 71651161

IUPACtert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride
SMILESCNCCN(C(=O)O)C(C)(C)C.Cl
InChIInChI=1S/C8H18N2O2.ClH/c1-8(2,3)10(7(11)12)6-5-9-4;/h9H,5-6H2,1-4H3,(H,11,12);1H
InChIKeyIRTBLKGRLLWNJE-UHFFFAOYSA-N
MW210.70 g/mol
LogP1.41
Rot. Bonds3

About tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride

tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride (PubChem CID 71651161) has the molecular formula C8H19ClN2O2 and a molecular weight of 210.70 g/mol. Its IUPAC name is tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride.

Molecular Properties

Compound Nametert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride
PubChem CID71651161
Molecular FormulaC8H19ClN2O2
Molecular Weight210.70 g/mol
Exact Mass210.11
IUPAC Nametert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride
SMILESCNCCN(C(=O)O)C(C)(C)C.Cl
InChIInChI=1S/C8H18N2O2.ClH/c1-8(2,3)10(7(11)12)6-5-9-4;/h9H,5-6H2,1-4H3,(H,11,12);1H
InChIKeyIRTBLKGRLLWNJE-UHFFFAOYSA-N
XLogP1.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride?
The IUPAC name of tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride (CID 71651161) is tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride.
What is the SMILES notation for tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride?
The canonical SMILES for tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride is CNCCN(C(=O)O)C(C)(C)C.Cl.
What is the InChIKey of tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride?
The InChIKey is IRTBLKGRLLWNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2.ClH/c1-8(2,3)10(7(11)12)6-5-9-4;/h9H,5-6H2,1-4H3,(H,11,12);1H.
What are the key properties of tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride?
tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride has a molecular weight of 210.70 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride is sourced from PubChem (CID 71651161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).