N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine

C15H27NO2 — CID 102896845

IUPACN-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCC1CCC2(CCCC2)O1)C1CCCO1
InChIInChI=1S/C15H27NO2/c1-12(14-5-4-10-17-14)16-11-13-6-9-15(18-13)7-2-3-8-15/h12-14,16H,2-11H2,1H3
InChIKeyQQKVAAPYZRCFNZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.64
Rot. Bonds4

About N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine

N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine (PubChem CID 102896845) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine
PubChem CID102896845
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCC1CCC2(CCCC2)O1)C1CCCO1
InChIInChI=1S/C15H27NO2/c1-12(14-5-4-10-17-14)16-11-13-6-9-15(18-13)7-2-3-8-15/h12-14,16H,2-11H2,1H3
InChIKeyQQKVAAPYZRCFNZ-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine with MolForge

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Related Compounds

(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605
1-chloro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 102900785
4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine
CID 102896817
1-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 107859550
1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102897316
1-bromo-3-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 107859043
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine
CID 102897813
1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 102900844
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol
CID 54938612
1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
CID 102897158
2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900792

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine (CID 102896845) is N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine is CC(NCC1CCC2(CCCC2)O1)C1CCCO1.
What is the InChIKey of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine?
The InChIKey is QQKVAAPYZRCFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12(14-5-4-10-17-14)16-11-13-6-9-15(18-13)7-2-3-8-15/h12-14,16H,2-11H2,1H3.
What are the key properties of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine?
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 102896845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).