tert-butyl hydrogen carbonate;2-methylpropan-2-amine

C9H21NO3 — CID 173023605

IUPACtert-butyl hydrogen carbonate;2-methylpropan-2-amine
SMILESCC(C)(C)N.CC(C)(C)OC(=O)O
InChIInChI=1S/C5H10O3.C4H11N/c1-5(2,3)8-4(6)7;1-4(2,3)5/h1-3H3,(H,6,7);5H2,1-3H3
InChIKeyRAOSDWKEPQDKOM-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.22
Rot. Bonds

About tert-butyl hydrogen carbonate;2-methylpropan-2-amine

tert-butyl hydrogen carbonate;2-methylpropan-2-amine (PubChem CID 173023605) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is tert-butyl hydrogen carbonate;2-methylpropan-2-amine.

Molecular Properties

Compound Nametert-butyl hydrogen carbonate;2-methylpropan-2-amine
PubChem CID173023605
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Nametert-butyl hydrogen carbonate;2-methylpropan-2-amine
SMILESCC(C)(C)N.CC(C)(C)OC(=O)O
InChIInChI=1S/C5H10O3.C4H11N/c1-5(2,3)8-4(6)7;1-4(2,3)5/h1-3H3,(H,6,7);5H2,1-3H3
InChIKeyRAOSDWKEPQDKOM-UHFFFAOYSA-N
XLogP2.22
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl hydrogen carbonate;2-propan-2-ylperoxypropane
CID 90170180
tert-butyl hydrogen carbonate;octane
CID 174792423
ditert-butyl oxalate;hydrazine
CID 88669499
tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968
6-azabicyclo[3.1.0]hexa-1(6),2,4-triene;tert-butyl hydrogen carbonate
CID 174857141
tert-butyl prop-2-enoate;carbamic acid
CID 162149452
tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 135140582
2-fluoropropan-2-yl hydrogen carbonate
CID 87318684
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
tert-butyl hydrogen carbonate;ethylcycloheptane
CID 175418399
tert-butyl acetate
CID 159704758
tert-butyl carbamate;molecular nitrogen
CID 176888665

Frequently Asked Questions

What is the IUPAC name of tert-butyl hydrogen carbonate;2-methylpropan-2-amine?
The IUPAC name of tert-butyl hydrogen carbonate;2-methylpropan-2-amine (CID 173023605) is tert-butyl hydrogen carbonate;2-methylpropan-2-amine.
What is the SMILES notation for tert-butyl hydrogen carbonate;2-methylpropan-2-amine?
The canonical SMILES for tert-butyl hydrogen carbonate;2-methylpropan-2-amine is CC(C)(C)N.CC(C)(C)OC(=O)O.
What is the InChIKey of tert-butyl hydrogen carbonate;2-methylpropan-2-amine?
The InChIKey is RAOSDWKEPQDKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C4H11N/c1-5(2,3)8-4(6)7;1-4(2,3)5/h1-3H3,(H,6,7);5H2,1-3H3.
What are the key properties of tert-butyl hydrogen carbonate;2-methylpropan-2-amine?
tert-butyl hydrogen carbonate;2-methylpropan-2-amine has a molecular weight of 191.27 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl hydrogen carbonate;2-methylpropan-2-amine is sourced from PubChem (CID 173023605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).