1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine

C17H26N2O — CID 105170221

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine
SMILESNC(CCc1ccccn1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H26N2O/c18-16(7-6-15-5-1-4-11-19-15)14-8-12-20-17(13-14)9-2-3-10-17/h1,4-5,11,14,16H,2-3,6-10,12-13,18H2
InChIKeyMKSBHHAUQVVROE-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.08
Rot. Bonds4

About 1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine

1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine (PubChem CID 105170221) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine
PubChem CID105170221
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine
SMILESNC(CCc1ccccn1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H26N2O/c18-16(7-6-15-5-1-4-11-19-15)14-8-12-20-17(13-14)9-2-3-10-17/h1,4-5,11,14,16H,2-3,6-10,12-13,18H2
InChIKeyMKSBHHAUQVVROE-UHFFFAOYSA-N
XLogP3.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine
CID 105167578
[1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropyl]hydrazine
CID 105325468
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-3-pyridin-2-ylpropan-1-amine
CID 105166307
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine
CID 79921850
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine
CID 79911685
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-amine
CID 105170881
2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79908679
N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 113291213
6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone
CID 79913229
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyridin-2-ylethanol
CID 79921089
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine (CID 105170221) is 1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine is NC(CCc1ccccn1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine?
The InChIKey is MKSBHHAUQVVROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-16(7-6-15-5-1-4-11-19-15)14-8-12-20-17(13-14)9-2-3-10-17/h1,4-5,11,14,16H,2-3,6-10,12-13,18H2.
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine?
1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 105170221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).