N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine

C17H27NO3 — CID 79908966

IUPACN-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H27NO3/c1-2-8-18-16(15-4-3-9-20-15)14-5-10-21-17(13-14)6-11-19-12-7-17/h3-4,9,14,16,18H,2,5-8,10-13H2,1H3
InChIKeyGYDOWSZMDPYOQW-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.30
Rot. Bonds5

About N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine

N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine (PubChem CID 79908966) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine
PubChem CID79908966
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H27NO3/c1-2-8-18-16(15-4-3-9-20-15)14-5-10-21-17(13-14)6-11-19-12-7-17/h3-4,9,14,16,18H,2,5-8,10-13H2,1H3
InChIKeyGYDOWSZMDPYOQW-UHFFFAOYSA-N
XLogP3.30
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 79914001
N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105016988
N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 79914070
N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 105010353
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911722
N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine
CID 107001178
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170342
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine
CID 105012146
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylbut-3-en-1-amine
CID 116661007
N-[(2-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105170255
N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 82888518
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104790003

Frequently Asked Questions

What is the IUPAC name of N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine (CID 79908966) is N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine is CCCNC(c1ccco1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine?
The InChIKey is GYDOWSZMDPYOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-8-18-16(15-4-3-9-20-15)14-5-10-21-17(13-14)6-11-19-12-7-17/h3-4,9,14,16,18H,2,5-8,10-13H2,1H3.
What are the key properties of N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine?
N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79908966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).