[(2S)-oxolan-2-yl]methyl-propan-2-ylazanium

C8H18NO+ — CID 7015881

IUPAC[(2S)-oxolan-2-yl]methyl-propan-2-ylazanium
SMILESCC(C)[NH2+]C[C@@H]1CCCO1
InChIInChI=1S/C8H17NO/c1-7(2)9-6-8-4-3-5-10-8/h7-9H,3-6H2,1-2H3/p+1/t8-/m0/s1
InChIKeyPELLLKANMONICH-QMMMGPOBSA-O
MW144.24 g/mol
LogP0.14
Rot. Bonds3

About [(2S)-oxolan-2-yl]methyl-propan-2-ylazanium

[(2S)-oxolan-2-yl]methyl-propan-2-ylazanium (PubChem CID 7015881) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl-propan-2-ylazanium.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl-propan-2-ylazanium
PubChem CID7015881
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name[(2S)-oxolan-2-yl]methyl-propan-2-ylazanium
SMILESCC(C)[NH2+]C[C@@H]1CCCO1
InChIInChI=1S/C8H17NO/c1-7(2)9-6-8-4-3-5-10-8/h7-9H,3-6H2,1-2H3/p+1/t8-/m0/s1
InChIKeyPELLLKANMONICH-QMMMGPOBSA-O
XLogP0.14
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7437146
[(2R)-oxolan-2-yl]methanamine
CID 2734124
(2R)-2-ethyloxolane
CID 641529
N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 22975536
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
azane;2-ethyloxolane
CID 174465001
(2S)-2-(3-chloro-2-methylpropyl)oxolane
CID 165447123
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
2-(3-bromo-2-methylpropyl)oxolane
CID 66049606
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
(2R)-2-(2-methylpropyl)oxane
CID 58653197

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl-propan-2-ylazanium?
The IUPAC name of [(2S)-oxolan-2-yl]methyl-propan-2-ylazanium (CID 7015881) is [(2S)-oxolan-2-yl]methyl-propan-2-ylazanium.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl-propan-2-ylazanium?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl-propan-2-ylazanium is CC(C)[NH2+]C[C@@H]1CCCO1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl-propan-2-ylazanium?
The InChIKey is PELLLKANMONICH-QMMMGPOBSA-O. The full InChI is InChI=1S/C8H17NO/c1-7(2)9-6-8-4-3-5-10-8/h7-9H,3-6H2,1-2H3/p+1/t8-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl-propan-2-ylazanium?
[(2S)-oxolan-2-yl]methyl-propan-2-ylazanium has a molecular weight of 144.24 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl-propan-2-ylazanium is sourced from PubChem (CID 7015881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).