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

C8H17N2O2- — CID 19868745

IUPACN-tert-butyl-N-[2-(methylamino)ethyl]carbamate
SMILESCNCCN(C(=O)[O-])C(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)10(7(11)12)6-5-9-4/h9H,5-6H2,1-4H3,(H,11,12)/p-1
InChIKeyVOAVHNKTNZQOFQ-UHFFFAOYSA-M
MW173.24 g/mol
LogP-0.35
Rot. Bonds3

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

N-tert-butyl-N-[2-(methylamino)ethyl]carbamate (PubChem CID 19868745) has the molecular formula C8H17N2O2- and a molecular weight of 173.24 g/mol. Its IUPAC name is N-tert-butyl-N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound NameN-tert-butyl-N-[2-(methylamino)ethyl]carbamate
PubChem CID19868745
Molecular FormulaC8H17N2O2-
Molecular Weight173.24 g/mol
Exact Mass173.13
IUPAC NameN-tert-butyl-N-[2-(methylamino)ethyl]carbamate
SMILESCNCCN(C(=O)[O-])C(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)10(7(11)12)6-5-9-4/h9H,5-6H2,1-4H3,(H,11,12)/p-1
InChIKeyVOAVHNKTNZQOFQ-UHFFFAOYSA-M
XLogP-0.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-(methylamino)ethyl]carbamate?
The IUPAC name of N-tert-butyl-N-[2-(methylamino)ethyl]carbamate (CID 19868745) is N-tert-butyl-N-[2-(methylamino)ethyl]carbamate.
What is the SMILES notation for N-tert-butyl-N-[2-(methylamino)ethyl]carbamate?
The canonical SMILES for N-tert-butyl-N-[2-(methylamino)ethyl]carbamate is CNCCN(C(=O)[O-])C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-(methylamino)ethyl]carbamate?
The InChIKey is VOAVHNKTNZQOFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)10(7(11)12)6-5-9-4/h9H,5-6H2,1-4H3,(H,11,12)/p-1.
What are the key properties of N-tert-butyl-N-[2-(methylamino)ethyl]carbamate?
N-tert-butyl-N-[2-(methylamino)ethyl]carbamate has a molecular weight of 173.24 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 19868745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).