2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol

C13H23N3O2 — CID 106100251

IUPAC2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
SMILESCC(C)n1cncc1CNCC1(O)CCOC1C
InChIInChI=1S/C13H23N3O2/c1-10(2)16-9-15-7-12(16)6-14-8-13(17)4-5-18-11(13)3/h7,9-11,14,17H,4-6,8H2,1-3H3
InChIKeyQLCLUJQWGZSGDS-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.09
Rot. Bonds5

About 2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol

2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol (PubChem CID 106100251) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
PubChem CID106100251
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
SMILESCC(C)n1cncc1CNCC1(O)CCOC1C
InChIInChI=1S/C13H23N3O2/c1-10(2)16-9-15-7-12(16)6-14-8-13(17)4-5-18-11(13)3/h7,9-11,14,17H,4-6,8H2,1-3H3
InChIKeyQLCLUJQWGZSGDS-UHFFFAOYSA-N
XLogP1.09
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 66164576
2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268404
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 106099117
2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
CID 107268488
2-methyl-3-[[(1-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268345
2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 106100232
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66164185
3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268416
3-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268308
2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol
CID 106100262

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol (CID 106100251) is 2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol is CC(C)n1cncc1CNCC1(O)CCOC1C.
What is the InChIKey of 2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol?
The InChIKey is QLCLUJQWGZSGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)16-9-15-7-12(16)6-14-8-13(17)4-5-18-11(13)3/h7,9-11,14,17H,4-6,8H2,1-3H3.
What are the key properties of 2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol?
2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol has a molecular weight of 253.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).