2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine

C17H33NO2 — CID 79911899

IUPAC2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(C1CCOC2(CCCCC2)C1)C(C)OC
InChIInChI=1S/C17H33NO2/c1-4-11-18-16(14(2)19-3)15-8-12-20-17(13-15)9-6-5-7-10-17/h14-16,18H,4-13H2,1-3H3
InChIKeyCJXNCOYLTILAML-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.52
Rot. Bonds6

About 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine

2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine (PubChem CID 79911899) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
PubChem CID79911899
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(C1CCOC2(CCCCC2)C1)C(C)OC
InChIInChI=1S/C17H33NO2/c1-4-11-18-16(14(2)19-3)15-8-12-20-17(13-15)9-6-5-7-10-17/h14-16,18H,4-13H2,1-3H3
InChIKeyCJXNCOYLTILAML-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79912064
3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79915501
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
N-[(3-methylcyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910791
1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911364
[2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine
CID 105272226
2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105016192
N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910518
N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 103547014
2-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine
CID 116758128
N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine
CID 116722752
N-[(2,2-dimethylcyclopropyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107004801

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine (CID 79911899) is 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine is CCCNC(C1CCOC2(CCCCC2)C1)C(C)OC.
What is the InChIKey of 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
The InChIKey is CJXNCOYLTILAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-11-18-16(14(2)19-3)15-8-12-20-17(13-15)9-6-5-7-10-17/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79911899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).