2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol

C15H29NO3 — CID 79904099

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H29NO3/c1-3-14(4-2,12-17)16-13-5-8-19-15(11-13)6-9-18-10-7-15/h13,16-17H,3-12H2,1-2H3
InChIKeyIINSAZYSGQFUJX-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.86
Rot. Bonds5

About 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol

2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol (PubChem CID 79904099) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol
PubChem CID79904099
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H29NO3/c1-3-14(4-2,12-17)16-13-5-8-19-15(11-13)6-9-18-10-7-15/h13,16-17H,3-12H2,1-2H3
InChIKeyIINSAZYSGQFUJX-UHFFFAOYSA-N
XLogP1.86
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79904025
2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903949
N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897688
N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine
CID 106328755
N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 106329063
[1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol
CID 79899613
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol
CID 79903083
N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895145
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol
CID 115359952
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894816

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol (CID 79904099) is 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol is CCC(CC)(CO)NC1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol?
The InChIKey is IINSAZYSGQFUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-14(4-2,12-17)16-13-5-8-19-15(11-13)6-9-18-10-7-15/h13,16-17H,3-12H2,1-2H3.
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol?
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol has a molecular weight of 271.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol is sourced from PubChem (CID 79904099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).