1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine

C16H31NO2 — CID 79914707

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H31NO2/c1-4-17-15(11-13(2)3)14-5-8-19-16(12-14)6-9-18-10-7-16/h13-15,17H,4-12H2,1-3H3
InChIKeyUBJKDAZVIGKINA-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.99
Rot. Bonds5

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 79914707) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine
PubChem CID79914707
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H31NO2/c1-4-17-15(11-13(2)3)14-5-8-19-16(12-14)6-9-18-10-7-16/h13-15,17H,4-12H2,1-3H3
InChIKeyUBJKDAZVIGKINA-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-4-methylpentan-1-amine
CID 79915050
2-butan-2-ylsulfanyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethylethanamine
CID 79910253
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutyl]hydrazine
CID 105199138
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine
CID 105012146
N-[1,9-dioxaspiro[5.5]undecan-4-yl(oxan-3-yl)methyl]ethanamine
CID 79910522
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911722
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170234
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylbut-3-en-1-amine
CID 116661007
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 79953929
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105170268
3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine
CID 105017087

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine (CID 79914707) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine is CCNC(CC(C)C)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is UBJKDAZVIGKINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-17-15(11-13(2)3)14-5-8-19-16(12-14)6-9-18-10-7-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 79914707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).