N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine

C16H31NO2 — CID 105170234

IUPACN-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H31NO2/c1-4-17-15(12-18-13(2)3)14-7-10-19-16(11-14)8-5-6-9-16/h13-15,17H,4-12H2,1-3H3
InChIKeyPVRJRZULWLHGLE-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds6

About N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine

N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine (PubChem CID 105170234) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
PubChem CID105170234
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H31NO2/c1-4-17-15(12-18-13(2)3)14-7-10-19-16(11-14)8-5-6-9-16/h13-15,17H,4-12H2,1-3H3
InChIKeyPVRJRZULWLHGLE-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
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-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105169801
N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
N-ethyl-3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914734
N-ethyl-2-ethylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911321
N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79911149
N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105016797
2-cyclopentylsulfanyl-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79910261
N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 103559593
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine
CID 79912014
N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79952767

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine?
The IUPAC name of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine (CID 105170234) is N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine?
The canonical SMILES for N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine is CCNC(COC(C)C)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine?
The InChIKey is PVRJRZULWLHGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-17-15(12-18-13(2)3)14-7-10-19-16(11-14)8-5-6-9-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine?
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105170234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).