2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol

C15H29NO2 — CID 79904025

IUPAC2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol
SMILESCCC(CC)(CO)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H29NO2/c1-3-14(4-2,12-17)16-13-7-10-18-15(11-13)8-5-6-9-15/h13,16-17H,3-12H2,1-2H3
InChIKeyMDINFDOPQAMJFN-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.62
Rot. Bonds5

About 2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol

2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol (PubChem CID 79904025) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol
PubChem CID79904025
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol
SMILESCCC(CC)(CO)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H29NO2/c1-3-14(4-2,12-17)16-13-7-10-18-15(11-13)8-5-6-9-15/h13,16-17H,3-12H2,1-2H3
InChIKeyMDINFDOPQAMJFN-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol
CID 79904099
2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903949
N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine
CID 106328755
N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897688
N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 106329063
N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 113488726
2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol
CID 106176373
N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine
CID 114616860
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol
CID 106147150
2-ethyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79902229

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol?
The IUPAC name of 2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol (CID 79904025) is 2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol is CCC(CC)(CO)NC1CCOC2(CCCC2)C1.
What is the InChIKey of 2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol?
The InChIKey is MDINFDOPQAMJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-14(4-2,12-17)16-13-7-10-18-15(11-13)8-5-6-9-15/h13,16-17H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol?
2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol is sourced from PubChem (CID 79904025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).