N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine

C16H26N2OS — CID 105169889

IUPACN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCNC(c1scnc1C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H26N2OS/c1-12-15(20-11-18-12)14(17-2)13-6-9-19-16(10-13)7-4-3-5-8-16/h11,13-14,17H,3-10H2,1-2H3
InChIKeyJDDFOGSCCLGXNC-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.84
Rot. Bonds3

About N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 105169889) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
PubChem CID105169889
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCNC(c1scnc1C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H26N2OS/c1-12-15(20-11-18-12)14(17-2)13-6-9-19-16(10-13)7-4-3-5-8-16/h11,13-14,17H,3-10H2,1-2H3
InChIKeyJDDFOGSCCLGXNC-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine with MolForge

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Related Compounds

(4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 105115940
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170113
N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169862
N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016176
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105113831
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105170205
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 103406702
1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016685
N-methyl-1-(2-methyl-4-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106755656
N-methyl-1-(4-methyl-2-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914962
N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 104804989
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-pyridazin-4-ylmethanamine
CID 105169878

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine (CID 105169889) is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine is CNC(c1scnc1C)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is JDDFOGSCCLGXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-12-15(20-11-18-12)14(17-2)13-6-9-19-16(10-13)7-4-3-5-8-16/h11,13-14,17H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 294.46 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 105169889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).