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

C14H25NO2 — CID 79912406

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
SMILESNC1(C2CCOC3(CCOCC3)C2)CCCC1
InChIInChI=1S/C14H25NO2/c15-14(4-1-2-5-14)12-3-8-17-13(11-12)6-9-16-10-7-13/h12H,1-11,15H2
InChIKeyIBPMHKZZYHAOMZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.23
Rot. Bonds1

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

1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine (PubChem CID 79912406) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
PubChem CID79912406
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
SMILESNC1(C2CCOC3(CCOCC3)C2)CCCC1
InChIInChI=1S/C14H25NO2/c15-14(4-1-2-5-14)12-3-8-17-13(11-12)6-9-16-10-7-13/h12H,1-11,15H2
InChIKeyIBPMHKZZYHAOMZ-UHFFFAOYSA-N
XLogP2.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79912522
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine
CID 79912993
3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine
CID 79913343
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine
CID 79912664
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107450145
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4,4-dimethylcyclohexan-1-ol
CID 79912494
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
CID 79901774
3-(6-oxaspiro[4.5]decan-9-yl)oxan-3-ol
CID 79913860
2-(5-oxaspiro[3.5]nonan-8-yl)-1,3-dihydroinden-2-amine
CID 79912864
1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine (CID 79912406) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine is NC1(C2CCOC3(CCOCC3)C2)CCCC1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
The InChIKey is IBPMHKZZYHAOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c15-14(4-1-2-5-14)12-3-8-17-13(11-12)6-9-16-10-7-13/h12H,1-11,15H2.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.23, 1 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)cyclopentan-1-amine is sourced from PubChem (CID 79912406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).