N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine

C13H25NO — CID 79897688

IUPACN-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCCC(C)(C)NC1CCOC2(CCC2)C1
InChIInChI=1S/C13H25NO/c1-4-12(2,3)14-11-6-9-15-13(10-11)7-5-8-13/h11,14H,4-10H2,1-3H3
InChIKeyUCXWUOYFCPKURT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds3

About N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine

N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79897688) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79897688
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCCC(C)(C)NC1CCOC2(CCC2)C1
InChIInChI=1S/C13H25NO/c1-4-12(2,3)14-11-6-9-15-13(10-11)7-5-8-13/h11,14H,4-10H2,1-3H3
InChIKeyUCXWUOYFCPKURT-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 106329063
N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine
CID 106328755
2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79904025
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol
CID 79904099
N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895018
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 113488726
N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107166629
[2,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine
CID 105322295
2-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79899395
N-(1-methylcyclopentyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895072
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine (CID 79897688) is N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine is CCC(C)(C)NC1CCOC2(CCC2)C1.
What is the InChIKey of N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is UCXWUOYFCPKURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-12(2,3)14-11-6-9-15-13(10-11)7-5-8-13/h11,14H,4-10H2,1-3H3.
What are the key properties of N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine?
N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 211.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79897688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).