2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine

C18H34N2O — CID 79906978

IUPAC2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)C1CCOC2(CCC2)C1)N1CCCCC1
InChIInChI=1S/C18H34N2O/c1-3-17(2,20-11-5-4-6-12-20)16(19)15-8-13-21-18(14-15)9-7-10-18/h15-16H,3-14,19H2,1-2H3
InChIKeyYDRZIYGYPNWUOK-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.32
Rot. Bonds4

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

2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine (PubChem CID 79906978) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine
PubChem CID79906978
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)C1CCOC2(CCC2)C1)N1CCCCC1
InChIInChI=1S/C18H34N2O/c1-3-17(2,20-11-5-4-6-12-20)16(19)15-8-13-21-18(14-15)9-7-10-18/h15-16H,3-14,19H2,1-2H3
InChIKeyYDRZIYGYPNWUOK-UHFFFAOYSA-N
XLogP3.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79906988
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79906947
2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
CID 79065521
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79910779
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79921120
5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine
CID 79912209
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
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 114211655
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79910537
(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 116763566

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine (CID 79906978) is 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine is CCC(C)(C(N)C1CCOC2(CCC2)C1)N1CCCCC1.
What is the InChIKey of 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine?
The InChIKey is YDRZIYGYPNWUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-17(2,20-11-5-4-6-12-20)16(19)15-8-13-21-18(14-15)9-7-10-18/h15-16H,3-14,19H2,1-2H3.
What are the key properties of 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine?
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine has a molecular weight of 294.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 79906978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).