1-(methylamino)propan-2-yl propan-2-yl carbonate

C8H17NO3 — CID 79337104

IUPAC1-(methylamino)propan-2-yl propan-2-yl carbonate
SMILESCNCC(C)OC(=O)OC(C)C
InChIInChI=1S/C8H17NO3/c1-6(2)11-8(10)12-7(3)5-9-4/h6-7,9H,5H2,1-4H3
InChIKeyMFNWKEKBXDLBQD-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.16
Rot. Bonds4

About 1-(methylamino)propan-2-yl propan-2-yl carbonate

1-(methylamino)propan-2-yl propan-2-yl carbonate (PubChem CID 79337104) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(methylamino)propan-2-yl propan-2-yl carbonate.

Molecular Properties

Compound Name1-(methylamino)propan-2-yl propan-2-yl carbonate
PubChem CID79337104
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name1-(methylamino)propan-2-yl propan-2-yl carbonate
SMILESCNCC(C)OC(=O)OC(C)C
InChIInChI=1S/C8H17NO3/c1-6(2)11-8(10)12-7(3)5-9-4/h6-7,9H,5H2,1-4H3
InChIKeyMFNWKEKBXDLBQD-UHFFFAOYSA-N
XLogP1.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)propan-2-yl N-ethyl-N-methylcarbamate
CID 79337101
propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride
CID 154776096
N-methyl-2-[1-(methylamino)propan-2-yloxy]propanamide
CID 62337007
1-(methylamino)propan-2-yl N-butylcarbamate
CID 79338018
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
(2S)-N-methyl-2-propan-2-yloxypropan-1-amine
CID 94405357
bis(1-hydroxypropan-2-yl) carbonate
CID 87589930
[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
CID 118177700
3-methylbutan-2-yl propan-2-yl carbonate
CID 23388328
propan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate
CID 148823158
1-(methylamino)propan-2-yl morpholine-4-carboxylate
CID 79338020
N-tert-butyl-2-[1-(methylamino)propan-2-yloxy]propanamide
CID 62336075

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)propan-2-yl propan-2-yl carbonate?
The IUPAC name of 1-(methylamino)propan-2-yl propan-2-yl carbonate (CID 79337104) is 1-(methylamino)propan-2-yl propan-2-yl carbonate.
What is the SMILES notation for 1-(methylamino)propan-2-yl propan-2-yl carbonate?
The canonical SMILES for 1-(methylamino)propan-2-yl propan-2-yl carbonate is CNCC(C)OC(=O)OC(C)C.
What is the InChIKey of 1-(methylamino)propan-2-yl propan-2-yl carbonate?
The InChIKey is MFNWKEKBXDLBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(2)11-8(10)12-7(3)5-9-4/h6-7,9H,5H2,1-4H3.
What are the key properties of 1-(methylamino)propan-2-yl propan-2-yl carbonate?
1-(methylamino)propan-2-yl propan-2-yl carbonate has a molecular weight of 175.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)propan-2-yl propan-2-yl carbonate is sourced from PubChem (CID 79337104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).