2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol

C10H21NO2 — CID 20702697

IUPAC2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol
SMILESCNC1CC(C(C)C)OC(C)C1O
InChIInChI=1S/C10H21NO2/c1-6(2)9-5-8(11-4)10(12)7(3)13-9/h6-12H,5H2,1-4H3
InChIKeyDPCHBHZCTJYBPC-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds2

About 2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol

2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol (PubChem CID 20702697) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol.

Molecular Properties

Compound Name2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol
PubChem CID20702697
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol
SMILESCNC1CC(C(C)C)OC(C)C1O
InChIInChI=1S/C10H21NO2/c1-6(2)9-5-8(11-4)10(12)7(3)13-9/h6-12H,5H2,1-4H3
InChIKeyDPCHBHZCTJYBPC-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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 2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol?
The IUPAC name of 2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol (CID 20702697) is 2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol.
What is the SMILES notation for 2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol?
The canonical SMILES for 2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol is CNC1CC(C(C)C)OC(C)C1O.
What is the InChIKey of 2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol?
The InChIKey is DPCHBHZCTJYBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6(2)9-5-8(11-4)10(12)7(3)13-9/h6-12H,5H2,1-4H3.
What are the key properties of 2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol?
2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylamino)-6-propan-2-yloxan-3-ol is sourced from PubChem (CID 20702697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).