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

C17H26N2O — CID 138478585

IUPAC1-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine
SMILESCC(N)CC1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C17H26N2O/c1-14(18)12-16(15-6-2-5-10-19-15)9-11-20-17(13-16)7-3-4-8-17/h2,5-6,10,14H,3-4,7-9,11-13,18H2,1H3
InChIKeyITNLQVRGSYUEIF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.18
Rot. Bonds3

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

1-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine (PubChem CID 138478585) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine.

Molecular Properties

Compound Name1-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine
PubChem CID138478585
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine
SMILESCC(N)CC1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C17H26N2O/c1-14(18)12-16(15-6-2-5-10-19-15)9-11-20-17(13-16)7-3-4-8-17/h2,5-6,10,14H,3-4,7-9,11-13,18H2,1H3
InChIKeyITNLQVRGSYUEIF-UHFFFAOYSA-N
XLogP3.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
The IUPAC name of 1-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine (CID 138478585) is 1-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine.
What is the SMILES notation for 1-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
The canonical SMILES for 1-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine is CC(N)CC1(c2ccccn2)CCOC2(CCCC2)C1.
What is the InChIKey of 1-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
The InChIKey is ITNLQVRGSYUEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(18)12-16(15-6-2-5-10-19-15)9-11-20-17(13-16)7-3-4-8-17/h2,5-6,10,14H,3-4,7-9,11-13,18H2,1H3.
What are the key properties of 1-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
1-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine is sourced from PubChem (CID 138478585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).