2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol

C15H29NO3 — CID 79919295

IUPAC2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol
SMILESCCCCN(CCO)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H29NO3/c1-2-3-7-16(8-9-17)14-4-10-19-15(13-14)5-11-18-12-6-15/h14,17H,2-13H2,1H3
InChIKeyXZFNIDYEDOVCPW-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.81
Rot. Bonds6

About 2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol

2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol (PubChem CID 79919295) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol
PubChem CID79919295
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol
SMILESCCCCN(CCO)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H29NO3/c1-2-3-7-16(8-9-17)14-4-10-19-15(13-14)5-11-18-12-6-15/h14,17H,2-13H2,1H3
InChIKeyXZFNIDYEDOVCPW-UHFFFAOYSA-N
XLogP1.81
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
2-[butyl(oxan-4-yl)amino]ethanol
CID 63937119
2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol
CID 79919655
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437
N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79920705
2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol
CID 113468045
3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol
CID 102858387
2-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]acetic acid
CID 79894049
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propylpropane-1,3-diamine
CID 79904792
2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol
CID 79919525
methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate
CID 79919754

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol?
The IUPAC name of 2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol (CID 79919295) is 2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol.
What is the SMILES notation for 2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol?
The canonical SMILES for 2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol is CCCCN(CCO)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol?
The InChIKey is XZFNIDYEDOVCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-3-7-16(8-9-17)14-4-10-19-15(13-14)5-11-18-12-6-15/h14,17H,2-13H2,1H3.
What are the key properties of 2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol?
2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol has a molecular weight of 271.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol is sourced from PubChem (CID 79919295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).