N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine

C18H33NO2 — CID 106830408

IUPACN-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCOC2(CCOC2)C1)C1(C)CCCCC1
InChIInChI=1S/C18H33NO2/c1-3-19-16(17(2)8-5-4-6-9-17)15-7-11-21-18(13-15)10-12-20-14-18/h15-16,19H,3-14H2,1-2H3
InChIKeyOFHICEOXSLVPAE-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.52
Rot. Bonds4

About N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine

N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine (PubChem CID 106830408) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine
PubChem CID106830408
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC NameN-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCOC2(CCOC2)C1)C1(C)CCCCC1
InChIInChI=1S/C18H33NO2/c1-3-19-16(17(2)8-5-4-6-9-17)15-7-11-21-18(13-15)10-12-20-14-18/h15-16,19H,3-14H2,1-2H3
InChIKeyOFHICEOXSLVPAE-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine with MolForge

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105012176
[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclopropyl)methyl]hydrazine
CID 105253589
3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine
CID 105017087
N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclopentyl)methyl]ethanamine
CID 79911261
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726779
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 79953929
2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine
CID 116722472
N-[cyclobutyl-(1-methylcyclopentyl)methyl]ethanamine
CID 105049630
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105170268
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028615
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine
CID 79921515
2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine
CID 105017134

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine (CID 106830408) is N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine is CCNC(C1CCOC2(CCOC2)C1)C1(C)CCCCC1.
What is the InChIKey of N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine?
The InChIKey is OFHICEOXSLVPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-3-19-16(17(2)8-5-4-6-9-17)15-7-11-21-18(13-15)10-12-20-14-18/h15-16,19H,3-14H2,1-2H3.
What are the key properties of N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine?
N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine has a molecular weight of 295.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 106830408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).