(1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine

C16H24N2O — CID 102897622

IUPAC(1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine
SMILESC[C@H](NCC1CCC2(CCCC2)O1)c1ccccn1
InChIInChI=1S/C16H24N2O/c1-13(15-6-2-5-11-17-15)18-12-14-7-10-16(19-14)8-3-4-9-16/h2,5-6,11,13-14,18H,3-4,7-10,12H2,1H3/t13-,14?/m0/s1
InChIKeyDSJVKIUBGNSBTJ-LSLKUGRBSA-N
MW260.38 g/mol
LogP3.22
Rot. Bonds4

About (1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine

(1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine (PubChem CID 102897622) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine
PubChem CID102897622
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine
SMILESC[C@H](NCC1CCC2(CCCC2)O1)c1ccccn1
InChIInChI=1S/C16H24N2O/c1-13(15-6-2-5-11-17-15)18-12-14-7-10-16(19-14)8-3-4-9-16/h2,5-6,11,13-14,18H,3-4,7-10,12H2,1H3/t13-,14?/m0/s1
InChIKeyDSJVKIUBGNSBTJ-LSLKUGRBSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine with MolForge

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Related Compounds

N-(cyclopentylmethyl)-1-pyridin-2-ylethanamine
CID 21279046
N-(cyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 21278980
N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine
CID 21279072
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 107386677
N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 43202632
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162329
1-[(1-pyridin-2-ylethylamino)methyl]cyclohexan-1-ol
CID 60909596
1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol
CID 81407673
N-[2-(oxolan-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61039958
4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine
CID 102896817
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 43195854
(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine (CID 102897622) is (1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine is C[C@H](NCC1CCC2(CCCC2)O1)c1ccccn1.
What is the InChIKey of (1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine?
The InChIKey is DSJVKIUBGNSBTJ-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(15-6-2-5-11-17-15)18-12-14-7-10-16(19-14)8-3-4-9-16/h2,5-6,11,13-14,18H,3-4,7-10,12H2,1H3/t13-,14?/m0/s1.
What are the key properties of (1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine?
(1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine has a molecular weight of 260.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine is sourced from PubChem (CID 102897622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).