N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine

C15H22N2O — CID 79895344

IUPACN-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESc1cncc(CCNC2CCOC3(CCC3)C2)c1
InChIInChI=1S/C15H22N2O/c1-3-13(12-16-8-1)4-9-17-14-5-10-18-15(11-14)6-2-7-15/h1,3,8,12,14,17H,2,4-7,9-11H2
InChIKeyREGSAWSZQNGMGR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.32
Rot. Bonds4

About N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine

N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79895344) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79895344
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESc1cncc(CCNC2CCOC3(CCC3)C2)c1
InChIInChI=1S/C15H22N2O/c1-3-13(12-16-8-1)4-9-17-14-5-10-18-15(11-14)6-2-7-15/h1,3,8,12,14,17H,2,4-7,9-11H2
InChIKeyREGSAWSZQNGMGR-UHFFFAOYSA-N
XLogP2.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895848
N-(2-pyridin-3-ylethyl)oxepan-4-amine
CID 65082158
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 80689155
N-(2-phenylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897783
N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903710
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide
CID 77087174
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
N-[2-(5-bromothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106047218
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106046741
N-[2-(3-methylphenyl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79899591
N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904034
N-[2-(2,4-dichlorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897553

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79895344) is N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine is c1cncc(CCNC2CCOC3(CCC3)C2)c1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is REGSAWSZQNGMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-13(12-16-8-1)4-9-17-14-5-10-18-15(11-14)6-2-7-15/h1,3,8,12,14,17H,2,4-7,9-11H2.
What are the key properties of N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 246.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79895344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).