N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine

C17H26N2O — CID 102848150

IUPACN-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine
SMILESCC(NCC1CCC2(CCCCC2)O1)c1cccnc1
InChIInChI=1S/C17H26N2O/c1-14(15-6-5-11-18-12-15)19-13-16-7-10-17(20-16)8-3-2-4-9-17/h5-6,11-12,14,16,19H,2-4,7-10,13H2,1H3
InChIKeyUDSFCCDBOZUDQZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.61
Rot. Bonds4

About N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine

N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine (PubChem CID 102848150) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine
PubChem CID102848150
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine
SMILESCC(NCC1CCC2(CCCCC2)O1)c1cccnc1
InChIInChI=1S/C17H26N2O/c1-14(15-6-5-11-18-12-15)19-13-16-7-10-17(20-16)8-3-2-4-9-17/h5-6,11-12,14,16,19H,2-4,7-10,13H2,1H3
InChIKeyUDSFCCDBOZUDQZ-UHFFFAOYSA-N
XLogP3.61
TPSA34.15 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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897573
(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404067
(1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine
CID 102897622
N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 43403760
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62064372
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine
CID 63821311
1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol
CID 81405097
(1R)-N-[(3-methylcyclohexyl)methyl]-1-pyridin-3-ylethanamine
CID 81404492
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 43204657
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 102897054
(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605
N-(1-pyridin-3-ylethyl)spiro[4.5]decan-8-amine
CID 114817153

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine?
The IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine (CID 102848150) is N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine?
The canonical SMILES for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine is CC(NCC1CCC2(CCCCC2)O1)c1cccnc1.
What is the InChIKey of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine?
The InChIKey is UDSFCCDBOZUDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(15-6-5-11-18-12-15)19-13-16-7-10-17(20-16)8-3-2-4-9-17/h5-6,11-12,14,16,19H,2-4,7-10,13H2,1H3.
What are the key properties of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine?
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine has a molecular weight of 274.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 102848150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).