2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine

C18H34N2O — CID 79906988

IUPAC2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(CC)(C(N)C1CCOC2(CCC2)C1)N1CCCC1
InChIInChI=1S/C18H34N2O/c1-3-18(4-2,20-11-5-6-12-20)16(19)15-8-13-21-17(14-15)9-7-10-17/h15-16H,3-14,19H2,1-2H3
InChIKeyJCNBUUZTXFKPFR-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.32
Rot. Bonds5

About 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine

2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79906988) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79906988
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(CC)(C(N)C1CCOC2(CCC2)C1)N1CCCC1
InChIInChI=1S/C18H34N2O/c1-3-18(4-2,20-11-5-6-12-20)16(19)15-8-13-21-17(14-15)9-7-10-17/h15-16H,3-14,19H2,1-2H3
InChIKeyJCNBUUZTXFKPFR-UHFFFAOYSA-N
XLogP3.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine
CID 79906978
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79906947
5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine
CID 79912209
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79921120
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79920933
[2,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine
CID 105322295
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 114211655
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
oxan-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911423
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79910537

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine (CID 79906988) is 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine is CCC(CC)(C(N)C1CCOC2(CCC2)C1)N1CCCC1.
What is the InChIKey of 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is JCNBUUZTXFKPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-18(4-2,20-11-5-6-12-20)16(19)15-8-13-21-17(14-15)9-7-10-17/h15-16H,3-14,19H2,1-2H3.
What are the key properties of 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine?
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 294.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79906988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).