propan-2-amine;propan-2-yl hydrogen carbonate

C7H17NO3 — CID 173023636

IUPACpropan-2-amine;propan-2-yl hydrogen carbonate
SMILESCC(C)N.CC(C)OC(=O)O
InChIInChI=1S/C4H8O3.C3H9N/c1-3(2)7-4(5)6;1-3(2)4/h3H,1-2H3,(H,5,6);3H,4H2,1-2H3
InChIKeyTZRORHHMAGATLL-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.44
Rot. Bonds1

About propan-2-amine;propan-2-yl hydrogen carbonate

propan-2-amine;propan-2-yl hydrogen carbonate (PubChem CID 173023636) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is propan-2-amine;propan-2-yl hydrogen carbonate.

Molecular Properties

Compound Namepropan-2-amine;propan-2-yl hydrogen carbonate
PubChem CID173023636
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Namepropan-2-amine;propan-2-yl hydrogen carbonate
SMILESCC(C)N.CC(C)OC(=O)O
InChIInChI=1S/C4H8O3.C3H9N/c1-3(2)7-4(5)6;1-3(2)4/h3H,1-2H3,(H,5,6);3H,4H2,1-2H3
InChIKeyTZRORHHMAGATLL-UHFFFAOYSA-N
XLogP1.44
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

carbonic acid;ethene;propan-2-yl hydrogen carbonate
CID 175300658
1,2-dimethoxyethane;propan-2-yl hydrogen carbonate
CID 175458709
3-aminobutan-2-yl hydrogen carbonate
CID 172831647
silver;propan-2-amine;propan-2-yl carbamate
CID 172719608
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
propan-2-yl 2-aminopropanoate
CID 11804791
propan-2-yl (2R)-3-amino-2-methylbutanoate
CID 154999103
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
hydron;propan-2-yl (2S)-2-aminopropanoate;chloride
CID 173116569
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225
azane;propan-2-yl carbamate
CID 172769477

Frequently Asked Questions

What is the IUPAC name of propan-2-amine;propan-2-yl hydrogen carbonate?
The IUPAC name of propan-2-amine;propan-2-yl hydrogen carbonate (CID 173023636) is propan-2-amine;propan-2-yl hydrogen carbonate.
What is the SMILES notation for propan-2-amine;propan-2-yl hydrogen carbonate?
The canonical SMILES for propan-2-amine;propan-2-yl hydrogen carbonate is CC(C)N.CC(C)OC(=O)O.
What is the InChIKey of propan-2-amine;propan-2-yl hydrogen carbonate?
The InChIKey is TZRORHHMAGATLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C3H9N/c1-3(2)7-4(5)6;1-3(2)4/h3H,1-2H3,(H,5,6);3H,4H2,1-2H3.
What are the key properties of propan-2-amine;propan-2-yl hydrogen carbonate?
propan-2-amine;propan-2-yl hydrogen carbonate has a molecular weight of 163.22 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-amine;propan-2-yl hydrogen carbonate is sourced from PubChem (CID 173023636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).