N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine

C17H27NO2 — CID 79914001

IUPACN-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H27NO2/c1-2-18-16(15-7-6-11-19-15)14-8-12-20-17(13-14)9-4-3-5-10-17/h6-7,11,14,16,18H,2-5,8-10,12-13H2,1H3
InChIKeyPITGJSBJAFFKLT-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.06
Rot. Bonds4

About N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine

N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine (PubChem CID 79914001) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
PubChem CID79914001
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H27NO2/c1-2-18-16(15-7-6-11-19-15)14-8-12-20-17(13-14)9-4-3-5-10-17/h6-7,11,14,16,18H,2-5,8-10,12-13H2,1H3
InChIKeyPITGJSBJAFFKLT-UHFFFAOYSA-N
XLogP4.06
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine
CID 79908966
N-[(2-chlorofuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692703
N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine
CID 65390247
2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105016192
N-[(2-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105010288
furan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899469
N-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105016929
N-[(2-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105166196
N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105016723
N-[(3-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 107953361
N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79894899
N-[furan-2-yl-(3-methylcyclopentyl)methyl]ethanamine
CID 65413778

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine?
The IUPAC name of N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine (CID 79914001) is N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine is CCNC(c1ccco1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine?
The InChIKey is PITGJSBJAFFKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-18-16(15-7-6-11-19-15)14-8-12-20-17(13-14)9-4-3-5-10-17/h6-7,11,14,16,18H,2-5,8-10,12-13H2,1H3.
What are the key properties of N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine?
N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine is sourced from PubChem (CID 79914001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).