2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine

C18H34N2O — CID 79906947

IUPAC2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(C)(C(N)C1CCOC2(CCCCC2)C1)N1CCCC1
InChIInChI=1S/C18H34N2O/c1-17(2,20-11-6-7-12-20)16(19)15-8-13-21-18(14-15)9-4-3-5-10-18/h15-16H,3-14,19H2,1-2H3
InChIKeyYTAZVMHWVZSWLG-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.32
Rot. Bonds3

About 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine

2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79906947) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID79906947
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(C)(C(N)C1CCOC2(CCCCC2)C1)N1CCCC1
InChIInChI=1S/C18H34N2O/c1-17(2,20-11-6-7-12-20)16(19)15-8-13-21-18(14-15)9-4-3-5-10-18/h15-16H,3-14,19H2,1-2H3
InChIKeyYTAZVMHWVZSWLG-UHFFFAOYSA-N
XLogP3.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79920933
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine
CID 79906978
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79921120
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79906988
2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine
CID 79045089
2-methyl-2-morpholin-4-yl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 79906960
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79910537
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
1-cycloheptyl-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 82932107
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016821
(1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79907565
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine (CID 79906947) is 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine is CC(C)(C(N)C1CCOC2(CCCCC2)C1)N1CCCC1.
What is the InChIKey of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is YTAZVMHWVZSWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-17(2,20-11-6-7-12-20)16(19)15-8-13-21-18(14-15)9-4-3-5-10-18/h15-16H,3-14,19H2,1-2H3.
What are the key properties of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine?
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 294.48 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79906947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).