1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine

C17H33NO2 — CID 105017232

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(C1CCOC2(CCOC2)C1)C(C)(C)CC
InChIInChI=1S/C17H33NO2/c1-5-9-18-15(16(3,4)6-2)14-7-10-20-17(12-14)8-11-19-13-17/h14-15,18H,5-13H2,1-4H3
InChIKeyMUTUCKFGCGPHDB-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.38
Rot. Bonds6

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine (PubChem CID 105017232) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine
PubChem CID105017232
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(C1CCOC2(CCOC2)C1)C(C)(C)CC
InChIInChI=1S/C17H33NO2/c1-5-9-18-15(16(3,4)6-2)14-7-10-20-17(12-14)8-11-19-13-17/h14-15,18H,5-13H2,1-4H3
InChIKeyMUTUCKFGCGPHDB-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-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethylbutyl]hydrazine
CID 105323287
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923010
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,2,2-trimethylpropan-1-amine
CID 79914724
2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine
CID 115856711
2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine
CID 116758128
N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107190201
N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine
CID 116722752
N-[2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 105016831
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine
CID 116759847
N-[1,4-dioxan-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 115824814

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine (CID 105017232) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine is CCCNC(C1CCOC2(CCOC2)C1)C(C)(C)CC.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine?
The InChIKey is MUTUCKFGCGPHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-5-9-18-15(16(3,4)6-2)14-7-10-20-17(12-14)8-11-19-13-17/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-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-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 105017232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).