azane;methanol;2-propan-2-yloxypropane;hydrate

C7H23NO3 — CID 173089924

IUPACazane;methanol;2-propan-2-yloxypropane;hydrate
SMILESCC(C)OC(C)C.CO.N.O
InChIInChI=1S/C6H14O.CH4O.H3N.H2O/c1-5(2)7-6(3)4;1-2;;/h5-6H,1-4H3;2H,1H3;1H3;1H2
InChIKeyDMTVJKMWBTVGRP-UHFFFAOYSA-N
MW169.26 g/mol
LogP0.77
Rot. Bonds2

About azane;methanol;2-propan-2-yloxypropane;hydrate

azane;methanol;2-propan-2-yloxypropane;hydrate (PubChem CID 173089924) has the molecular formula C7H23NO3 and a molecular weight of 169.26 g/mol. Its IUPAC name is azane;methanol;2-propan-2-yloxypropane;hydrate.

Molecular Properties

Compound Nameazane;methanol;2-propan-2-yloxypropane;hydrate
PubChem CID173089924
Molecular FormulaC7H23NO3
Molecular Weight169.26 g/mol
Exact Mass169.17
IUPAC Nameazane;methanol;2-propan-2-yloxypropane;hydrate
SMILESCC(C)OC(C)C.CO.N.O
InChIInChI=1S/C6H14O.CH4O.H3N.H2O/c1-5(2)7-6(3)4;1-2;;/h5-6H,1-4H3;2H,1H3;1H3;1H2
InChIKeyDMTVJKMWBTVGRP-UHFFFAOYSA-N
XLogP0.77
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;methanol;2-propan-2-yloxypropane;hydrate?
The IUPAC name of azane;methanol;2-propan-2-yloxypropane;hydrate (CID 173089924) is azane;methanol;2-propan-2-yloxypropane;hydrate.
What is the SMILES notation for azane;methanol;2-propan-2-yloxypropane;hydrate?
The canonical SMILES for azane;methanol;2-propan-2-yloxypropane;hydrate is CC(C)OC(C)C.CO.N.O.
What is the InChIKey of azane;methanol;2-propan-2-yloxypropane;hydrate?
The InChIKey is DMTVJKMWBTVGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.CH4O.H3N.H2O/c1-5(2)7-6(3)4;1-2;;/h5-6H,1-4H3;2H,1H3;1H3;1H2.
What are the key properties of azane;methanol;2-propan-2-yloxypropane;hydrate?
azane;methanol;2-propan-2-yloxypropane;hydrate has a molecular weight of 169.26 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methanol;2-propan-2-yloxypropane;hydrate is sourced from PubChem (CID 173089924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).