N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine

C17H33NO2 — CID 105169809

IUPACN-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H33NO2/c1-3-11-19-12-8-16(18-2)15-7-13-20-17(14-15)9-5-4-6-10-17/h15-16,18H,3-14H2,1-2H3
InChIKeySFOBTSUTFKVGJN-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.52
Rot. Bonds7

About N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine

N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine (PubChem CID 105169809) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine
PubChem CID105169809
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H33NO2/c1-3-11-19-12-8-16(18-2)15-7-13-20-17(14-15)9-5-4-6-10-17/h15-16,18H,3-14H2,1-2H3
InChIKeySFOBTSUTFKVGJN-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79915501
1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
CID 105079512
N-ethyl-3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914734
3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 103149235
N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propoxyethyl]propan-1-amine
CID 79914384
2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169206
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine
CID 105016151
4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 105170251
3-methoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914460
4-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 105170822
3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpropan-1-amine
CID 103149172

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine?
The IUPAC name of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine (CID 105169809) is N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine.
What is the SMILES notation for N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine?
The canonical SMILES for N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine is CCCOCCC(NC)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine?
The InChIKey is SFOBTSUTFKVGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-11-19-12-8-16(18-2)15-7-13-20-17(14-15)9-5-4-6-10-17/h15-16,18H,3-14H2,1-2H3.
What are the key properties of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine?
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine is sourced from PubChem (CID 105169809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).