4-[(2-methylpropylamino)methyl]oxan-4-ol

C10H21NO2 — CID 62772786

IUPAC4-[(2-methylpropylamino)methyl]oxan-4-ol
SMILESCC(C)CNCC1(O)CCOCC1
InChIInChI=1S/C10H21NO2/c1-9(2)7-11-8-10(12)3-5-13-6-4-10/h9,11-12H,3-8H2,1-2H3
InChIKeyNMWNQJKUROSUJO-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds4

About 4-[(2-methylpropylamino)methyl]oxan-4-ol

4-[(2-methylpropylamino)methyl]oxan-4-ol (PubChem CID 62772786) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-[(2-methylpropylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(2-methylpropylamino)methyl]oxan-4-ol
PubChem CID62772786
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-[(2-methylpropylamino)methyl]oxan-4-ol
SMILESCC(C)CNCC1(O)CCOCC1
InChIInChI=1S/C10H21NO2/c1-9(2)7-11-8-10(12)3-5-13-6-4-10/h9,11-12H,3-8H2,1-2H3
InChIKeyNMWNQJKUROSUJO-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(2-methylpropylamino)methyl]oxan-4-ol (CID 62772786) is 4-[(2-methylpropylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(2-methylpropylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(2-methylpropylamino)methyl]oxan-4-ol is CC(C)CNCC1(O)CCOCC1.
What is the InChIKey of 4-[(2-methylpropylamino)methyl]oxan-4-ol?
The InChIKey is NMWNQJKUROSUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)7-11-8-10(12)3-5-13-6-4-10/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 4-[(2-methylpropylamino)methyl]oxan-4-ol?
4-[(2-methylpropylamino)methyl]oxan-4-ol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropylamino)methyl]oxan-4-ol is sourced from PubChem (CID 62772786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).