4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol

C15H29NO2 — CID 114244648

IUPAC4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol
SMILESCC(C)C(CCO)NC1CCCC12CCOCC2
InChIInChI=1S/C15H29NO2/c1-12(2)13(5-9-17)16-14-4-3-6-15(14)7-10-18-11-8-15/h12-14,16-17H,3-11H2,1-2H3
InChIKeyXLTBBPUWHZMGMD-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.33
Rot. Bonds5

About 4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol

4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol (PubChem CID 114244648) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol
PubChem CID114244648
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol
SMILESCC(C)C(CCO)NC1CCCC12CCOCC2
InChIInChI=1S/C15H29NO2/c1-12(2)13(5-9-17)16-14-4-3-6-15(14)7-10-18-11-8-15/h12-14,16-17H,3-11H2,1-2H3
InChIKeyXLTBBPUWHZMGMD-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol (CID 114244648) is 4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol is CC(C)C(CCO)NC1CCCC12CCOCC2.
What is the InChIKey of 4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol?
The InChIKey is XLTBBPUWHZMGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)13(5-9-17)16-14-4-3-6-15(14)7-10-18-11-8-15/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol?
4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(8-oxaspiro[4.5]decan-4-ylamino)pentan-1-ol is sourced from PubChem (CID 114244648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).