N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine

C15H24N2O2S — CID 146102853

IUPACN-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine
SMILESCC(NCC1COC2(CCCCCC2)O1)c1ccsn1
InChIInChI=1S/C15H24N2O2S/c1-12(14-6-9-20-17-14)16-10-13-11-18-15(19-13)7-4-2-3-5-8-15/h6,9,12-13,16H,2-5,7-8,10-11H2,1H3
InChIKeyRQZGVLKFSCWNOR-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.26
Rot. Bonds4

About N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine

N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine (PubChem CID 146102853) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine
PubChem CID146102853
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine
SMILESCC(NCC1COC2(CCCCCC2)O1)c1ccsn1
InChIInChI=1S/C15H24N2O2S/c1-12(14-6-9-20-17-14)16-10-13-11-18-15(19-13)7-4-2-3-5-8-15/h6,9,12-13,16H,2-5,7-8,10-11H2,1H3
InChIKeyRQZGVLKFSCWNOR-UHFFFAOYSA-N
XLogP3.26
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine?
The IUPAC name of N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine (CID 146102853) is N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine?
The canonical SMILES for N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine is CC(NCC1COC2(CCCCCC2)O1)c1ccsn1.
What is the InChIKey of N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine?
The InChIKey is RQZGVLKFSCWNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(14-6-9-20-17-14)16-10-13-11-18-15(19-13)7-4-2-3-5-8-15/h6,9,12-13,16H,2-5,7-8,10-11H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine?
N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine has a molecular weight of 296.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1-(1,2-thiazol-3-yl)ethanamine is sourced from PubChem (CID 146102853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).