N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine

C16H31NO2 — CID 79911149

IUPACN-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCCNC(CCCOC)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H31NO2/c1-3-17-15(7-6-11-18-2)14-8-12-19-16(13-14)9-4-5-10-16/h14-15,17H,3-13H2,1-2H3
InChIKeyYJXNXMKBBFGUJH-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds7

About N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine

N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (PubChem CID 79911149) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
PubChem CID79911149
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCCNC(CCCOC)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H31NO2/c1-3-17-15(7-6-11-18-2)14-8-12-19-16(13-14)9-4-5-10-16/h14-15,17H,3-13H2,1-2H3
InChIKeyYJXNXMKBBFGUJH-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914734
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79915501
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170234
1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911364
N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79952767
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 103559593
N-ethyl-2-ethylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911321
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine
CID 79914979
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-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (CID 79911149) is N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is CCNC(CCCOC)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The InChIKey is YJXNXMKBBFGUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-17-15(7-6-11-18-2)14-8-12-19-16(13-14)9-4-5-10-16/h14-15,17H,3-13H2,1-2H3.
What are the key properties of N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is sourced from PubChem (CID 79911149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).