4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol

C10H21NO3 — CID 115746977

IUPAC4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol
SMILESCC(CO)CNCC1(O)CCOCC1
InChIInChI=1S/C10H21NO3/c1-9(7-12)6-11-8-10(13)2-4-14-5-3-10/h9,11-13H,2-8H2,1H3
InChIKeyLYNTVDJCTMCVOH-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.25
Rot. Bonds5

About 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol

4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol (PubChem CID 115746977) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol
PubChem CID115746977
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol
SMILESCC(CO)CNCC1(O)CCOCC1
InChIInChI=1S/C10H21NO3/c1-9(7-12)6-11-8-10(13)2-4-14-5-3-10/h9,11-13H,2-8H2,1H3
InChIKeyLYNTVDJCTMCVOH-UHFFFAOYSA-N
XLogP-0.25
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]methyl]oxan-4-ol
CID 81133889
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol
CID 103878575
3-[(2-methoxypropylamino)methyl]oxolan-3-ol
CID 106100785
4-(ethylaminomethyl)oxepan-4-ol
CID 65080985
4-[(propan-2-ylamino)methyl]oxepan-4-ol
CID 65080987
4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol
CID 81130877
1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
4-[(2-methylpentylamino)methyl]thian-4-ol
CID 115904288
N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
CID 81131141
2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide
CID 81130965
4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]oxan-4-ol
CID 81419874
1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 65210997

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol (CID 115746977) is 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol is CC(CO)CNCC1(O)CCOCC1.
What is the InChIKey of 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol?
The InChIKey is LYNTVDJCTMCVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(7-12)6-11-8-10(13)2-4-14-5-3-10/h9,11-13H,2-8H2,1H3.
What are the key properties of 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol?
4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol has a molecular weight of 203.28 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 115746977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).