N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine

C15H24N2O3 — CID 79903316

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1noc(C)c1C(C)NC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H24N2O3/c1-10(14-11(2)17-20-12(14)3)16-13-4-6-19-15(8-13)5-7-18-9-15/h10,13,16H,4-9H2,1-3H3
InChIKeyWQTZGNJMZWDVJN-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.28
Rot. Bonds3

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79903316) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79903316
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1noc(C)c1C(C)NC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H24N2O3/c1-10(14-11(2)17-20-12(14)3)16-13-4-6-19-15(8-13)5-7-18-9-15/h10,13,16H,4-9H2,1-3H3
InChIKeyWQTZGNJMZWDVJN-UHFFFAOYSA-N
XLogP2.28
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine with MolForge

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895601
N-[(1S)-1-pyridin-3-ylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81404864
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-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81384866
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81365301
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
3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine
CID 79462313
N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895528
N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895576

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine (CID 79903316) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine is Cc1noc(C)c1C(C)NC1CCOC2(CCOC2)C1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is WQTZGNJMZWDVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(14-11(2)17-20-12(14)3)16-13-4-6-19-15(8-13)5-7-18-9-15/h10,13,16H,4-9H2,1-3H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 280.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).