(4-propan-2-yloxan-3-yl)azanium

C8H18NO+ — CID 147478728

IUPAC(4-propan-2-yloxan-3-yl)azanium
SMILESCC(C)C1CCOCC1[NH3+]
InChIInChI=1S/C8H17NO/c1-6(2)7-3-4-10-5-8(7)9/h6-8H,3-5,9H2,1-2H3/p+1
InChIKeyFDEXLXHAHGSAJS-UHFFFAOYSA-O
MW144.24 g/mol
LogP0.29
Rot. Bonds1

About (4-propan-2-yloxan-3-yl)azanium

(4-propan-2-yloxan-3-yl)azanium (PubChem CID 147478728) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is (4-propan-2-yloxan-3-yl)azanium.

Molecular Properties

Compound Name(4-propan-2-yloxan-3-yl)azanium
PubChem CID147478728
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name(4-propan-2-yloxan-3-yl)azanium
SMILESCC(C)C1CCOCC1[NH3+]
InChIInChI=1S/C8H17NO/c1-6(2)7-3-4-10-5-8(7)9/h6-8H,3-5,9H2,1-2H3/p+1
InChIKeyFDEXLXHAHGSAJS-UHFFFAOYSA-O
XLogP0.29
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4S)-3,4-di(propan-2-yl)oxane
CID 121421969
(3R,4R)-4-ethyl-3-propan-2-yloxane
CID 129093904
[(3S)-oxolan-3-yl]azanium
CID 40602812
bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane
CID 159738816
2-(3-methyloxan-4-yl)propan-1-amine
CID 83905272
2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide
CID 176856944
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
3-(3-methylbutan-2-yl)oxolane
CID 123661278
3-[(2S)-3-methylbutan-2-yl]oxolane
CID 166765635
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
(2S,3S)-3-propan-2-yloxolan-2-ol
CID 138639961
3-propan-2-yloxolan-2-ol
CID 130130760

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxan-3-yl)azanium?
The IUPAC name of (4-propan-2-yloxan-3-yl)azanium (CID 147478728) is (4-propan-2-yloxan-3-yl)azanium.
What is the SMILES notation for (4-propan-2-yloxan-3-yl)azanium?
The canonical SMILES for (4-propan-2-yloxan-3-yl)azanium is CC(C)C1CCOCC1[NH3+].
What is the InChIKey of (4-propan-2-yloxan-3-yl)azanium?
The InChIKey is FDEXLXHAHGSAJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO/c1-6(2)7-3-4-10-5-8(7)9/h6-8H,3-5,9H2,1-2H3/p+1.
What are the key properties of (4-propan-2-yloxan-3-yl)azanium?
(4-propan-2-yloxan-3-yl)azanium has a molecular weight of 144.24 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxan-3-yl)azanium is sourced from PubChem (CID 147478728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).