N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine

C16H25NO3 — CID 79895601

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1cc(C(C)NC2CCOC3(CCOC3)C2)c(C)o1
InChIInChI=1S/C16H25NO3/c1-11-8-15(13(3)20-11)12(2)17-14-4-6-19-16(9-14)5-7-18-10-16/h8,12,14,17H,4-7,9-10H2,1-3H3
InChIKeyLSVDXEISJYMEJW-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.89
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79895601) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79895601
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1cc(C(C)NC2CCOC3(CCOC3)C2)c(C)o1
InChIInChI=1S/C16H25NO3/c1-11-8-15(13(3)20-11)12(2)17-14-4-6-19-16(9-14)5-7-18-10-16/h8,12,14,17H,4-7,9-10H2,1-3H3
InChIKeyLSVDXEISJYMEJW-UHFFFAOYSA-N
XLogP2.89
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine 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-[(1R)-1-(4-chlorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81352982
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81355317
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903316
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81365301
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-[(1S)-1-(2-bromophenyl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 81377968
N-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81404864
N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81384866
N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrrolidin-3-amine
CID 79741678
N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895513
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
(1R)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylcyclohex-3-en-1-amine
CID 124850379

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine (CID 79895601) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine is Cc1cc(C(C)NC2CCOC3(CCOC3)C2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is LSVDXEISJYMEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-8-15(13(3)20-11)12(2)17-14-4-6-19-16(9-14)5-7-18-10-16/h8,12,14,17H,4-7,9-10H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 279.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).