(2-amino-2-methylbutyl) N-ethylcarbamate

C8H18N2O2 — CID 79337657

IUPAC(2-amino-2-methylbutyl) N-ethylcarbamate
SMILESCCNC(=O)OCC(C)(N)CC
InChIInChI=1S/C8H18N2O2/c1-4-8(3,9)6-12-7(11)10-5-2/h4-6,9H2,1-3H3,(H,10,11)
InChIKeyGFRLXFRAIROTHQ-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.86
Rot. Bonds4

About (2-amino-2-methylbutyl) N-ethylcarbamate

(2-amino-2-methylbutyl) N-ethylcarbamate (PubChem CID 79337657) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2-amino-2-methylbutyl) N-ethylcarbamate.

Molecular Properties

Compound Name(2-amino-2-methylbutyl) N-ethylcarbamate
PubChem CID79337657
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(2-amino-2-methylbutyl) N-ethylcarbamate
SMILESCCNC(=O)OCC(C)(N)CC
InChIInChI=1S/C8H18N2O2/c1-4-8(3,9)6-12-7(11)10-5-2/h4-6,9H2,1-3H3,(H,10,11)
InChIKeyGFRLXFRAIROTHQ-UHFFFAOYSA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-methylbutyl) N-ethylcarbamate?
The IUPAC name of (2-amino-2-methylbutyl) N-ethylcarbamate (CID 79337657) is (2-amino-2-methylbutyl) N-ethylcarbamate.
What is the SMILES notation for (2-amino-2-methylbutyl) N-ethylcarbamate?
The canonical SMILES for (2-amino-2-methylbutyl) N-ethylcarbamate is CCNC(=O)OCC(C)(N)CC.
What is the InChIKey of (2-amino-2-methylbutyl) N-ethylcarbamate?
The InChIKey is GFRLXFRAIROTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-8(3,9)6-12-7(11)10-5-2/h4-6,9H2,1-3H3,(H,10,11).
What are the key properties of (2-amino-2-methylbutyl) N-ethylcarbamate?
(2-amino-2-methylbutyl) N-ethylcarbamate has a molecular weight of 174.24 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-methylbutyl) N-ethylcarbamate is sourced from PubChem (CID 79337657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).