3-methoxy-5-(methylamino)hexan-1-ol

C8H19NO2 — CID 89088247

IUPAC3-methoxy-5-(methylamino)hexan-1-ol
SMILESCNC(C)CC(CCO)OC
InChIInChI=1S/C8H19NO2/c1-7(9-2)6-8(11-3)4-5-10/h7-10H,4-6H2,1-3H3
InChIKeyYDDJPWRQTUIZEE-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.38
Rot. Bonds6

About 3-methoxy-5-(methylamino)hexan-1-ol

3-methoxy-5-(methylamino)hexan-1-ol (PubChem CID 89088247) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 3-methoxy-5-(methylamino)hexan-1-ol.

Molecular Properties

Compound Name3-methoxy-5-(methylamino)hexan-1-ol
PubChem CID89088247
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name3-methoxy-5-(methylamino)hexan-1-ol
SMILESCNC(C)CC(CCO)OC
InChIInChI=1S/C8H19NO2/c1-7(9-2)6-8(11-3)4-5-10/h7-10H,4-6H2,1-3H3
InChIKeyYDDJPWRQTUIZEE-UHFFFAOYSA-N
XLogP0.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(methylamino)hexan-1-ol?
The IUPAC name of 3-methoxy-5-(methylamino)hexan-1-ol (CID 89088247) is 3-methoxy-5-(methylamino)hexan-1-ol.
What is the SMILES notation for 3-methoxy-5-(methylamino)hexan-1-ol?
The canonical SMILES for 3-methoxy-5-(methylamino)hexan-1-ol is CNC(C)CC(CCO)OC.
What is the InChIKey of 3-methoxy-5-(methylamino)hexan-1-ol?
The InChIKey is YDDJPWRQTUIZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(9-2)6-8(11-3)4-5-10/h7-10H,4-6H2,1-3H3.
What are the key properties of 3-methoxy-5-(methylamino)hexan-1-ol?
3-methoxy-5-(methylamino)hexan-1-ol has a molecular weight of 161.24 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(methylamino)hexan-1-ol is sourced from PubChem (CID 89088247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).