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

C14H27NO2 — CID 79911282

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
SMILESCCCCC(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-2-3-4-13(15)12-5-8-17-14(11-12)6-9-16-10-7-14/h12-13H,2-11,15H2,1H3
InChIKeyKQLWJQDOARAYCS-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.48
Rot. Bonds4

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

1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine (PubChem CID 79911282) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
PubChem CID79911282
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
SMILESCCCCC(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-2-3-4-13(15)12-5-8-17-14(11-12)6-9-16-10-7-14/h12-13H,2-11,15H2,1H3
InChIKeyKQLWJQDOARAYCS-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
CID 105012097
1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105017103
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine
CID 105167577
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine
CID 79911954
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 79911677
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911722
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine
CID 105323241
2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine
CID 103169144
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine (CID 79911282) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine is CCCCC(N)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine?
The InChIKey is KQLWJQDOARAYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-13(15)12-5-8-17-14(11-12)6-9-16-10-7-14/h12-13H,2-11,15H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.48, 4 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)pentan-1-amine is sourced from PubChem (CID 79911282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).