1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine

C17H33NO2 — CID 105012146

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H33NO2/c1-4-6-14(3)16(18-5-2)15-7-10-20-17(13-15)8-11-19-12-9-17/h14-16,18H,4-13H2,1-3H3
InChIKeyIQRSPNYSVYYROI-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.38
Rot. Bonds6

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine (PubChem CID 105012146) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine
PubChem CID105012146
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H33NO2/c1-4-6-14(3)16(18-5-2)15-7-10-20-17(13-15)8-11-19-12-9-17/h14-16,18H,4-13H2,1-3H3
InChIKeyIQRSPNYSVYYROI-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-4-methylpentan-1-amine
CID 79915050
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 79914707
N-[1,9-dioxaspiro[5.5]undecan-4-yl(oxan-3-yl)methyl]ethanamine
CID 79910522
2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105016192
N-ethyl-2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914163
2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine
CID 116722472
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,2,3-trimethylbutan-1-amine
CID 105012068
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911722
N-ethyl-2,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 105018116
2-butan-2-ylsulfanyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethylethanamine
CID 79910253
2-cyclopropyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 105012128
N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclopentyl)methyl]ethanamine
CID 79911261

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine (CID 105012146) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine is CCCC(C)C(NCC)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine?
The InChIKey is IQRSPNYSVYYROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-6-14(3)16(18-5-2)15-7-10-20-17(13-15)8-11-19-12-9-17/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine is sourced from PubChem (CID 105012146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).