N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine

C18H33NO2 — CID 79910518

IUPACN-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCOCC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H33NO2/c1-2-10-19-17(15-5-11-20-12-6-15)16-7-13-21-18(14-16)8-3-4-9-18/h15-17,19H,2-14H2,1H3
InChIKeyHBHOLDCGPBKNHD-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.52
Rot. Bonds5

About N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine

N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine (PubChem CID 79910518) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
PubChem CID79910518
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC NameN-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCOCC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H33NO2/c1-2-10-19-17(15-5-11-20-12-6-15)16-7-13-21-18(14-16)8-3-4-9-18/h15-17,19H,2-14H2,1H3
InChIKeyHBHOLDCGPBKNHD-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

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
N-[(2,2-dimethylcyclopropyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107004801
N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79908146
N-[(2-methylcyclopropyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79911700
N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79908691
N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 115824817
N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79914136
N-[1,9-dioxaspiro[5.5]undecan-4-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80621542
N-[2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 105016831
1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911364
N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 103547014

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine (CID 79910518) is N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine is CCCNC(C1CCOCC1)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The InChIKey is HBHOLDCGPBKNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-2-10-19-17(15-5-11-20-12-6-15)16-7-13-21-18(14-16)8-3-4-9-18/h15-17,19H,2-14H2,1H3.
What are the key properties of N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine is sourced from PubChem (CID 79910518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).