5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol

C13H29NO2 — CID 12040646

IUPAC5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol
SMILESCC(CCO)CCN(C)CCC(C)CCO
InChIInChI=1S/C13H29NO2/c1-12(6-10-15)4-8-14(3)9-5-13(2)7-11-16/h12-13,15-16H,4-11H2,1-3H3
InChIKeyJUEGOMARZLBHRU-UHFFFAOYSA-N
MW231.38 g/mol
LogP1.74
Rot. Bonds10

About 5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol

5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol (PubChem CID 12040646) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol
PubChem CID12040646
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol
SMILESCC(CCO)CCN(C)CCC(C)CCO
InChIInChI=1S/C13H29NO2/c1-12(6-10-15)4-8-14(3)9-5-13(2)7-11-16/h12-13,15-16H,4-11H2,1-3H3
InChIKeyJUEGOMARZLBHRU-UHFFFAOYSA-N
XLogP1.74
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol?
The IUPAC name of 5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol (CID 12040646) is 5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol.
What is the SMILES notation for 5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol?
The canonical SMILES for 5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol is CC(CCO)CCN(C)CCC(C)CCO.
What is the InChIKey of 5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol?
The InChIKey is JUEGOMARZLBHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-12(6-10-15)4-8-14(3)9-5-13(2)7-11-16/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol?
5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-hydroxy-3-methylpentyl)-methylamino]-3-methylpentan-1-ol is sourced from PubChem (CID 12040646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).