(3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol

C12H25NO3 — CID 97046341

IUPAC(3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol
SMILESCOC[C@@](C)(CCO)NC[C@H]1CCCCO1
InChIInChI=1S/C12H25NO3/c1-12(6-7-14,10-15-2)13-9-11-5-3-4-8-16-11/h11,13-14H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyQLDAVXGKRGAHAL-VXGBXAGGSA-N
MW231.34 g/mol
LogP0.93
Rot. Bonds7

About (3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol

(3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol (PubChem CID 97046341) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name(3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol
PubChem CID97046341
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name(3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol
SMILESCOC[C@@](C)(CCO)NC[C@H]1CCCCO1
InChIInChI=1S/C12H25NO3/c1-12(6-7-14,10-15-2)13-9-11-5-3-4-8-16-11/h11,13-14H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyQLDAVXGKRGAHAL-VXGBXAGGSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol with MolForge

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Related Compounds

3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol
CID 106172498
2-methyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 65378813
2-methyl-N-(oxan-2-ylmethyl)butan-2-amine
CID 43421983
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
CID 30030904
N-methoxy-1-(oxan-2-yl)methanamine
CID 60702614
2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid
CID 114995613
4,4-dimethoxy-2-methyl-2-(oxolan-2-ylmethylamino)butanenitrile
CID 66179830
N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide
CID 115968720
ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263
2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid
CID 114998033
3,3-dimethoxy-2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile
CID 66168021
2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 64803380

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol?
The IUPAC name of (3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol (CID 97046341) is (3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol.
What is the SMILES notation for (3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol?
The canonical SMILES for (3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol is COC[C@@](C)(CCO)NC[C@H]1CCCCO1.
What is the InChIKey of (3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol?
The InChIKey is QLDAVXGKRGAHAL-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H25NO3/c1-12(6-7-14,10-15-2)13-9-11-5-3-4-8-16-11/h11,13-14H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol?
(3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol is sourced from PubChem (CID 97046341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).