1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate

C8H18N2O2 — CID 79337101

IUPAC1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC(C)CNC
InChIInChI=1S/C8H18N2O2/c1-5-10(4)8(11)12-7(2)6-9-3/h7,9H,5-6H2,1-4H3
InChIKeyITHBAOVQRWAJFD-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.68
Rot. Bonds4

About 1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate

1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate (PubChem CID 79337101) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate
PubChem CID79337101
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC(C)CNC
InChIInChI=1S/C8H18N2O2/c1-5-10(4)8(11)12-7(2)6-9-3/h7,9H,5-6H2,1-4H3
InChIKeyITHBAOVQRWAJFD-UHFFFAOYSA-N
XLogP0.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)propan-2-yl propan-2-yl carbonate
CID 79337104
1-(methylamino)propan-2-yl N-butylcarbamate
CID 79338018
1-(methylamino)propan-2-yl morpholine-4-carboxylate
CID 79338020
(2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide
CID 89069924
N-ethyl-N-methyl-2-(methylamino)acetamide
CID 18683928
(4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate
CID 155445153
ethyl 2-[1-(methylamino)propan-2-yloxy]acetate
CID 106939526
N-methyl-2-[1-(methylamino)propan-2-yloxy]propanamide
CID 62337007
octan-2-yl N,N-diethylcarbamate
CID 175430238
2-[ethyl(methyl)carbamoyl]oxyacetic acid
CID 142231802
[(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate
CID 101353524
2-aminoethyl N-ethyl-N-methylcarbamate
CID 58684517

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate?
The IUPAC name of 1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate (CID 79337101) is 1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate.
What is the SMILES notation for 1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate?
The canonical SMILES for 1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate is CCN(C)C(=O)OC(C)CNC.
What is the InChIKey of 1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate?
The InChIKey is ITHBAOVQRWAJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-5-10(4)8(11)12-7(2)6-9-3/h7,9H,5-6H2,1-4H3.
What are the key properties of 1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate?
1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate has a molecular weight of 174.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 79337101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).