1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine

C17H33NO2 — CID 79911722

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H33NO2/c1-3-5-6-16(18-10-4-2)15-7-11-20-17(14-15)8-12-19-13-9-17/h15-16,18H,3-14H2,1-2H3
InChIKeyKWLHWOSAUIPWPV-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.52
Rot. Bonds7

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

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine (PubChem CID 79911722) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
PubChem CID79911722
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H33NO2/c1-3-5-6-16(18-10-4-2)15-7-11-20-17(14-15)8-12-19-13-9-17/h15-16,18H,3-14H2,1-2H3
InChIKeyKWLHWOSAUIPWPV-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911364
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-propylpropan-1-amine
CID 79915597
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine
CID 105323241
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
4-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylpentan-1-amine
CID 79915623
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-4-methylpentan-1-amine
CID 79915050
3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79915501
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 79914707
N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910518
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
CID 105012097

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine (CID 79911722) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine is CCCCC(NCCC)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine?
The InChIKey is KWLHWOSAUIPWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-5-6-16(18-10-4-2)15-7-11-20-17(14-15)8-12-19-13-9-17/h15-16,18H,3-14H2,1-2H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.52, 7 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-propylpentan-1-amine is sourced from PubChem (CID 79911722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).