2-methylpropylazanium;2-methylpropyl carbonate

C9H21NO3 — CID 87175176

IUPAC2-methylpropylazanium;2-methylpropyl carbonate
SMILESCC(C)COC(=O)[O-].CC(C)C[NH3+]
InChIInChI=1S/C5H10O3.C4H11N/c1-4(2)3-8-5(6)7;1-4(2)3-5/h4H,3H2,1-2H3,(H,6,7);4H,3,5H2,1-2H3
InChIKeySZVUQKOTOXVFTL-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.11
Rot. Bonds3

About 2-methylpropylazanium;2-methylpropyl carbonate

2-methylpropylazanium;2-methylpropyl carbonate (PubChem CID 87175176) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-methylpropylazanium;2-methylpropyl carbonate.

Molecular Properties

Compound Name2-methylpropylazanium;2-methylpropyl carbonate
PubChem CID87175176
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name2-methylpropylazanium;2-methylpropyl carbonate
SMILESCC(C)COC(=O)[O-].CC(C)C[NH3+]
InChIInChI=1S/C5H10O3.C4H11N/c1-4(2)3-8-5(6)7;1-4(2)3-5/h4H,3H2,1-2H3,(H,6,7);4H,3,5H2,1-2H3
InChIKeySZVUQKOTOXVFTL-UHFFFAOYSA-N
XLogP-0.11
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropylazanium;2-methylpropyl carbonate?
The IUPAC name of 2-methylpropylazanium;2-methylpropyl carbonate (CID 87175176) is 2-methylpropylazanium;2-methylpropyl carbonate.
What is the SMILES notation for 2-methylpropylazanium;2-methylpropyl carbonate?
The canonical SMILES for 2-methylpropylazanium;2-methylpropyl carbonate is CC(C)COC(=O)[O-].CC(C)C[NH3+].
What is the InChIKey of 2-methylpropylazanium;2-methylpropyl carbonate?
The InChIKey is SZVUQKOTOXVFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C4H11N/c1-4(2)3-8-5(6)7;1-4(2)3-5/h4H,3H2,1-2H3,(H,6,7);4H,3,5H2,1-2H3.
What are the key properties of 2-methylpropylazanium;2-methylpropyl carbonate?
2-methylpropylazanium;2-methylpropyl carbonate has a molecular weight of 191.27 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylazanium;2-methylpropyl carbonate is sourced from PubChem (CID 87175176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).