2-propan-2-ylmorpholin-4-ium

C7H16NO+ — CID 19877687

IUPAC2-propan-2-ylmorpholin-4-ium
SMILESCC(C)C1C[NH2+]CCO1
InChIInChI=1S/C7H15NO/c1-6(2)7-5-8-3-4-9-7/h6-8H,3-5H2,1-2H3/p+1
InChIKeyDNBOOEPFXFVICE-UHFFFAOYSA-O
MW130.21 g/mol
LogP-0.40
Rot. Bonds1

About 2-propan-2-ylmorpholin-4-ium

2-propan-2-ylmorpholin-4-ium (PubChem CID 19877687) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-propan-2-ylmorpholin-4-ium.

Molecular Properties

Compound Name2-propan-2-ylmorpholin-4-ium
PubChem CID19877687
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name2-propan-2-ylmorpholin-4-ium
SMILESCC(C)C1C[NH2+]CCO1
InChIInChI=1S/C7H15NO/c1-6(2)7-5-8-3-4-9-7/h6-8H,3-5H2,1-2H3/p+1
InChIKeyDNBOOEPFXFVICE-UHFFFAOYSA-O
XLogP-0.40
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R,4S)-2-propan-2-yloxan-4-yl]methanol
CID 97010857
7-propan-2-yl-1,4-oxazepane
CID 82594497
(2R)-4-methyl-2-propan-2-ylmorpholine
CID 155242186
2-methylpropane;4-methyl-2-propan-2-yloxane
CID 145025500
4-(hydroxymethyl)-2-propan-2-yloxan-4-ol
CID 82713696
4-butan-2-yl-2-propan-2-yloxan-4-ol
CID 79445575
(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-[1,4]dioxino[2,3-c]pyrrol-6-ium
CID 138976577
(2R,5S)-2,5-di(propan-2-yl)oxolane
CID 12641398
(2R)-2,4-di(propan-2-yl)-1,4-oxazepane
CID 176594247
4-tert-butyl-2-propan-2-ylmorpholine
CID 134252869
2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane
CID 134997635
2-propan-2-yloxane-4-carbothioamide
CID 12798670

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylmorpholin-4-ium?
The IUPAC name of 2-propan-2-ylmorpholin-4-ium (CID 19877687) is 2-propan-2-ylmorpholin-4-ium.
What is the SMILES notation for 2-propan-2-ylmorpholin-4-ium?
The canonical SMILES for 2-propan-2-ylmorpholin-4-ium is CC(C)C1C[NH2+]CCO1.
What is the InChIKey of 2-propan-2-ylmorpholin-4-ium?
The InChIKey is DNBOOEPFXFVICE-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15NO/c1-6(2)7-5-8-3-4-9-7/h6-8H,3-5H2,1-2H3/p+1.
What are the key properties of 2-propan-2-ylmorpholin-4-ium?
2-propan-2-ylmorpholin-4-ium has a molecular weight of 130.21 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylmorpholin-4-ium is sourced from PubChem (CID 19877687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).