4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol

C14H27NO2 — CID 107152735

IUPAC4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol
SMILESCC(C)CC(O)CNC1CCOC2(CCC2)C1
InChIInChI=1S/C14H27NO2/c1-11(2)8-13(16)10-15-12-4-7-17-14(9-12)5-3-6-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyMQXJTVDANGBDSH-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.08
Rot. Bonds5

About 4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol

4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol (PubChem CID 107152735) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol
PubChem CID107152735
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol
SMILESCC(C)CC(O)CNC1CCOC2(CCC2)C1
InChIInChI=1S/C14H27NO2/c1-11(2)8-13(16)10-15-12-4-7-17-14(9-12)5-3-6-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyMQXJTVDANGBDSH-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol?
The IUPAC name of 4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol (CID 107152735) is 4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol.
What is the SMILES notation for 4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol?
The canonical SMILES for 4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol is CC(C)CC(O)CNC1CCOC2(CCC2)C1.
What is the InChIKey of 4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol?
The InChIKey is MQXJTVDANGBDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)8-13(16)10-15-12-4-7-17-14(9-12)5-3-6-14/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol?
4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol has a molecular weight of 241.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol is sourced from PubChem (CID 107152735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).