tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen

C8H22N2O2 — CID 144504271

IUPACtert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen
SMILESCNCCNC(=O)OC(C)(C)C.[H][H].[H][H]
InChIInChI=1S/C8H18N2O2.2H2/c1-8(2,3)12-7(11)10-6-5-9-4;;/h9H,5-6H2,1-4H3,(H,10,11);2*1H
InChIKeyKMSVOKTUJDIUEJ-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.22
Rot. Bonds3

About tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen

tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen (PubChem CID 144504271) has the molecular formula C8H22N2O2 and a molecular weight of 178.28 g/mol. Its IUPAC name is tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen
PubChem CID144504271
Molecular FormulaC8H22N2O2
Molecular Weight178.28 g/mol
Exact Mass178.17
IUPAC Nametert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen
SMILESCNCCNC(=O)OC(C)(C)C.[H][H].[H][H]
InChIInChI=1S/C8H18N2O2.2H2/c1-8(2,3)12-7(11)10-6-5-9-4;;/h9H,5-6H2,1-4H3,(H,10,11);2*1H
InChIKeyKMSVOKTUJDIUEJ-UHFFFAOYSA-N
XLogP1.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.22
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

tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
CID 165117112
CID 165117112
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride
CID 146082291
tert-butyl N-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethyl]carbamate
CID 177120478
tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate
CID 89229854
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate
CID 78978111
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
tert-butyl N-[2-(propylamino)ethyl]carbamate
CID 14925149
tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
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tert-butyl N-(bromomethyl)carbamate
CID 20614913

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen?
The IUPAC name of tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen (CID 144504271) is tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen.
What is the SMILES notation for tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen?
The canonical SMILES for tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen is CNCCNC(=O)OC(C)(C)C.[H][H].[H][H].
What is the InChIKey of tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen?
The InChIKey is KMSVOKTUJDIUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2.2H2/c1-8(2,3)12-7(11)10-6-5-9-4;;/h9H,5-6H2,1-4H3,(H,10,11);2*1H.
What are the key properties of tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen?
tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen has a molecular weight of 178.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen is sourced from PubChem (CID 144504271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).