N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

C17H31NO2 — CID 103559593

IUPACN-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESCCNC(CC1(OC)CCC1)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H31NO2/c1-3-18-15(13-16(19-2)7-4-8-16)14-6-11-20-17(12-14)9-5-10-17/h14-15,18H,3-13H2,1-2H3
InChIKeyQBNHNPPXLLBQKO-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.27
Rot. Bonds6

About N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (PubChem CID 103559593) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
PubChem CID103559593
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESCCNC(CC1(OC)CCC1)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H31NO2/c1-3-18-15(13-16(19-2)7-4-8-16)14-6-11-20-17(12-14)9-5-10-17/h14-15,18H,3-13H2,1-2H3
InChIKeyQBNHNPPXLLBQKO-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798
[2-(1-methoxycyclobutyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]hydrazine
CID 103560547
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103559654
N-ethyl-3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914734
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170234
N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79911149
N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79952767
2-cyclopentylsulfanyl-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79910261
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
N-ethyl-2-ethylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911321
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105169801

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (CID 103559593) is N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is CCNC(CC1(OC)CCC1)C1CCOC2(CCC2)C1.
What is the InChIKey of N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The InChIKey is QBNHNPPXLLBQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-18-15(13-16(19-2)7-4-8-16)14-6-11-20-17(12-14)9-5-10-17/h14-15,18H,3-13H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine has a molecular weight of 281.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is sourced from PubChem (CID 103559593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).