2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine

C13H25NO2 — CID 79912977

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine
SMILESCCC(C)(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H25NO2/c1-3-12(2,14)11-4-7-16-13(10-11)5-8-15-9-6-13/h11H,3-10,14H2,1-2H3
InChIKeyDSCFPHIRHNKHTK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds2

About 2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine

2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine (PubChem CID 79912977) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine
PubChem CID79912977
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine
SMILESCCC(C)(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H25NO2/c1-3-12(2,14)11-4-7-16-13(10-11)5-8-15-9-6-13/h11H,3-10,14H2,1-2H3
InChIKeyDSCFPHIRHNKHTK-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868
2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine
CID 79912770
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid
CID 79901467
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine
CID 79908078
2-(oxan-4-yl)butan-2-amine
CID 63936671
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine
CID 79913092
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol
CID 79899451
N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine
CID 81026781
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine
CID 79907776
2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoropropan-1-amine
CID 112565121
4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one
CID 79923487
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethylbutyl]hydrazine
CID 105323287

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine (CID 79912977) is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine is CCC(C)(N)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine?
The InChIKey is DSCFPHIRHNKHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-12(2,14)11-4-7-16-13(10-11)5-8-15-9-6-13/h11H,3-10,14H2,1-2H3.
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine?
2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine has a molecular weight of 227.35 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine is sourced from PubChem (CID 79912977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).