N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine

C15H23NO3 — CID 75513016

IUPACN-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCc1ccc(CNC2CCC3(CC2)OCCO3)o1
InChIInChI=1S/C15H23NO3/c1-2-13-3-4-14(19-13)11-16-12-5-7-15(8-6-12)17-9-10-18-15/h3-4,12,16H,2,5-11H2,1H3
InChIKeyYCGJMJKQDXPKNV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.62
Rot. Bonds4

About N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 75513016) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID75513016
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCc1ccc(CNC2CCC3(CC2)OCCO3)o1
InChIInChI=1S/C15H23NO3/c1-2-13-3-4-14(19-13)11-16-12-5-7-15(8-6-12)17-9-10-18-15/h3-4,12,16H,2,5-11H2,1H3
InChIKeyYCGJMJKQDXPKNV-UHFFFAOYSA-N
XLogP2.62
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881484
4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65055158
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63423900
N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine
CID 103766021
[4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol
CID 107229803
N-[(5-ethylfuran-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358487
N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 62344751
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63160019
N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 62344557
N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopropan-1-amine
CID 62396351
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958342
N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61035182

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 75513016) is N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine is CCc1ccc(CNC2CCC3(CC2)OCCO3)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is YCGJMJKQDXPKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-13-3-4-14(19-13)11-16-12-5-7-15(8-6-12)17-9-10-18-15/h3-4,12,16H,2,5-11H2,1H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 265.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 75513016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).