(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine

C9H19NO2 — CID 98010101

IUPAC(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
SMILESC[C@H](CCN)O[C@@H]1CCCCO1
InChIInChI=1S/C9H19NO2/c1-8(5-6-10)12-9-4-2-3-7-11-9/h8-9H,2-7,10H2,1H3/t8-,9-/m1/s1
InChIKeyOUADMFJDYBGBDY-RKDXNWHRSA-N
MW173.26 g/mol
LogP1.27
Rot. Bonds4

About (3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine

(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine (PubChem CID 98010101) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine.

Molecular Properties

Compound Name(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
PubChem CID98010101
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
SMILESC[C@H](CCN)O[C@@H]1CCCCO1
InChIInChI=1S/C9H19NO2/c1-8(5-6-10)12-9-4-2-3-7-11-9/h8-9H,2-7,10H2,1H3/t8-,9-/m1/s1
InChIKeyOUADMFJDYBGBDY-RKDXNWHRSA-N
XLogP1.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
2-butan-2-yloxyoxane
CID 559028
2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
2-[(2S)-6-iodohexan-2-yl]oxyoxane
CID 11659617
2-(oxan-2-yloxy)propylhydrazine
CID 175028715
(2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane
CID 98010095
(2S)-2-hept-6-en-2-yloxyoxane
CID 139755185
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
CID 11746035
3-(oxan-2-yloxy)-4-propoxybutan-1-amine
CID 23468125
tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
CID 101016623
3-(oxan-2-yloxy)butanoic acid
CID 14279636

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine?
The IUPAC name of (3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine (CID 98010101) is (3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine.
What is the SMILES notation for (3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine?
The canonical SMILES for (3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine is C[C@H](CCN)O[C@@H]1CCCCO1.
What is the InChIKey of (3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine?
The InChIKey is OUADMFJDYBGBDY-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(5-6-10)12-9-4-2-3-7-11-9/h8-9H,2-7,10H2,1H3/t8-,9-/m1/s1.
What are the key properties of (3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine?
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine is sourced from PubChem (CID 98010101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).