[2-(oxolan-2-yl)oxolan-3-yl]methanamine

C9H17NO2 — CID 82837467

IUPAC[2-(oxolan-2-yl)oxolan-3-yl]methanamine
SMILESNCC1CCOC1C1CCCO1
InChIInChI=1S/C9H17NO2/c10-6-7-3-5-12-9(7)8-2-1-4-11-8/h7-9H,1-6,10H2
InChIKeyOSGQRJGLZODRAW-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.53
Rot. Bonds2

About [2-(oxolan-2-yl)oxolan-3-yl]methanamine

[2-(oxolan-2-yl)oxolan-3-yl]methanamine (PubChem CID 82837467) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is [2-(oxolan-2-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(oxolan-2-yl)oxolan-3-yl]methanamine
PubChem CID82837467
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name[2-(oxolan-2-yl)oxolan-3-yl]methanamine
SMILESNCC1CCOC1C1CCCO1
InChIInChI=1S/C9H17NO2/c10-6-7-3-5-12-9(7)8-2-1-4-11-8/h7-9H,1-6,10H2
InChIKeyOSGQRJGLZODRAW-UHFFFAOYSA-N
XLogP0.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(oxolan-2-yl)oxolan-3-yl]methyl]ethanamine
CID 82837371
[(3aS,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]methanamine
CID 124746900
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine
CID 172551855
[2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine
CID 104575993
[(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine
CID 96839564
2-(oxiran-2-yl)oxolane
CID 18759351
[(2R)-oxolan-2-yl]methanamine
CID 2734124
[(2S,3S)-2-phenyloxan-3-yl]methanamine
CID 51892912
(8aR)-4-isocyanato-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 163484851
2-(oxolan-2-yl)cyclopentan-1-amine
CID 45098422
[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine
CID 103277815
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053

Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-2-yl)oxolan-3-yl]methanamine?
The IUPAC name of [2-(oxolan-2-yl)oxolan-3-yl]methanamine (CID 82837467) is [2-(oxolan-2-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-(oxolan-2-yl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-(oxolan-2-yl)oxolan-3-yl]methanamine is NCC1CCOC1C1CCCO1.
What is the InChIKey of [2-(oxolan-2-yl)oxolan-3-yl]methanamine?
The InChIKey is OSGQRJGLZODRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c10-6-7-3-5-12-9(7)8-2-1-4-11-8/h7-9H,1-6,10H2.
What are the key properties of [2-(oxolan-2-yl)oxolan-3-yl]methanamine?
[2-(oxolan-2-yl)oxolan-3-yl]methanamine has a molecular weight of 171.24 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 82837467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).