[2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate

C9H20N2O2 — CID 87800616

IUPAC[2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(C)(C)CNC
InChIInChI=1S/C9H20N2O2/c1-5-11-8(12)13-7-9(2,3)6-10-4/h10H,5-7H2,1-4H3,(H,11,12)
InChIKeyUNFOBILYLNFDHE-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.98
Rot. Bonds5

About [2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate

[2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate (PubChem CID 87800616) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is [2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate.

Molecular Properties

Compound Name[2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate
PubChem CID87800616
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name[2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(C)(C)CNC
InChIInChI=1S/C9H20N2O2/c1-5-11-8(12)13-7-9(2,3)6-10-4/h10H,5-7H2,1-4H3,(H,11,12)
InChIKeyUNFOBILYLNFDHE-UHFFFAOYSA-N
XLogP0.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-2-methylbutyl) N-ethylcarbamate
CID 79337657
[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl] N-ethylcarbamate
CID 87800600
methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate
CID 115267316
[2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate
CID 126540668
ethyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 79006290
(3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate
CID 54453185
2,2,3,3-tetrafluoropropyl N-ethylcarbamate
CID 137320402
2,2,4,4-tetramethylpentyl N-[3-[(2-ethyl-2,4,4-trimethylpentoxy)carbonylamino]-2-[(2-methylpropan-2-yl)oxy]propyl]carbamate
CID 135293021
azane;ethyl N-ethylcarbamate
CID 88547448
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate
CID 103465110
[2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
CID 134452927

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate?
The IUPAC name of [2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate (CID 87800616) is [2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate.
What is the SMILES notation for [2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate?
The canonical SMILES for [2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate is CCNC(=O)OCC(C)(C)CNC.
What is the InChIKey of [2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate?
The InChIKey is UNFOBILYLNFDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-5-11-8(12)13-7-9(2,3)6-10-4/h10H,5-7H2,1-4H3,(H,11,12).
What are the key properties of [2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate?
[2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate has a molecular weight of 188.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate is sourced from PubChem (CID 87800616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).