2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol

C12H23NO3 — CID 107268217

IUPAC2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCC1CCOCC1
InChIInChI=1S/C12H23NO3/c1-10-12(14,4-7-16-10)9-13-8-11-2-5-15-6-3-11/h10-11,13-14H,2-9H2,1H3
InChIKeyDIMGKDBYSCFRCF-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.54
Rot. Bonds4

About 2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol

2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol (PubChem CID 107268217) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol
PubChem CID107268217
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCC1CCOCC1
InChIInChI=1S/C12H23NO3/c1-10-12(14,4-7-16-10)9-13-8-11-2-5-15-6-3-11/h10-11,13-14H,2-9H2,1H3
InChIKeyDIMGKDBYSCFRCF-UHFFFAOYSA-N
XLogP0.54
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(pyrrolidin-2-ylmethylamino)methyl]oxolan-3-ol
CID 106100173
3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol
CID 106100165
3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanoic acid
CID 106101058
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 107301644
2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301867
3-[(3,3-diethoxypropylamino)methyl]-2-methyloxolan-3-ol
CID 114143474
methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate
CID 106101091
2-methyl-3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxolan-3-ol
CID 106101133
N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine
CID 103991529
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine
CID 115244778
N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide
CID 106101015

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol (CID 107268217) is 2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol is CC1OCCC1(O)CNCC1CCOCC1.
What is the InChIKey of 2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol?
The InChIKey is DIMGKDBYSCFRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10-12(14,4-7-16-10)9-13-8-11-2-5-15-6-3-11/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol?
2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol has a molecular weight of 229.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 107268217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).