N-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine

C16H27N3OS — CID 131642143

IUPACN-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCCN(C)C1COC2(CCN(Cc3csc(C)n3)CC2)C1
InChIInChI=1S/C16H27N3OS/c1-4-18(3)15-9-16(20-11-15)5-7-19(8-6-16)10-14-12-21-13(2)17-14/h12,15H,4-11H2,1-3H3
InChIKeyNWMSHBOZLMHJEX-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.53
Rot. Bonds4

About N-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine

N-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 131642143) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID131642143
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCCN(C)C1COC2(CCN(Cc3csc(C)n3)CC2)C1
InChIInChI=1S/C16H27N3OS/c1-4-18(3)15-9-16(20-11-15)5-7-19(8-6-16)10-14-12-21-13(2)17-14/h12,15H,4-11H2,1-3H3
InChIKeyNWMSHBOZLMHJEX-UHFFFAOYSA-N
XLogP2.53
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 131642143) is N-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine is CCN(C)C1COC2(CCN(Cc3csc(C)n3)CC2)C1.
What is the InChIKey of N-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is NWMSHBOZLMHJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-18(3)15-9-16(20-11-15)5-7-19(8-6-16)10-14-12-21-13(2)17-14/h12,15H,4-11H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine?
N-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 309.48 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 131642143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).