6-(methylamino)octan-2-ol

C9H21NO — CID 170714877

IUPAC6-(methylamino)octan-2-ol
SMILESCCC(CCCC(C)O)NC
InChIInChI=1S/C9H21NO/c1-4-9(10-3)7-5-6-8(2)11/h8-11H,4-7H2,1-3H3
InChIKeyGGEDOJIECCJGOD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.54
Rot. Bonds6

About 6-(methylamino)octan-2-ol

6-(methylamino)octan-2-ol (PubChem CID 170714877) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 6-(methylamino)octan-2-ol.

Molecular Properties

Compound Name6-(methylamino)octan-2-ol
PubChem CID170714877
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name6-(methylamino)octan-2-ol
SMILESCCC(CCCC(C)O)NC
InChIInChI=1S/C9H21NO/c1-4-9(10-3)7-5-6-8(2)11/h8-11H,4-7H2,1-3H3
InChIKeyGGEDOJIECCJGOD-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)octan-2-ol?
The IUPAC name of 6-(methylamino)octan-2-ol (CID 170714877) is 6-(methylamino)octan-2-ol.
What is the SMILES notation for 6-(methylamino)octan-2-ol?
The canonical SMILES for 6-(methylamino)octan-2-ol is CCC(CCCC(C)O)NC.
What is the InChIKey of 6-(methylamino)octan-2-ol?
The InChIKey is GGEDOJIECCJGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-9(10-3)7-5-6-8(2)11/h8-11H,4-7H2,1-3H3.
What are the key properties of 6-(methylamino)octan-2-ol?
6-(methylamino)octan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)octan-2-ol is sourced from PubChem (CID 170714877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).