N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

C16H27N3OS — CID 105170205

IUPACN-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1snnc1C(C)C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H27N3OS/c1-11(2)13-15(21-19-18-13)14(17-3)12-6-9-20-16(10-12)7-4-5-8-16/h11-12,14,17H,4-10H2,1-3H3
InChIKeyMUAUODHNDQEGTO-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.66
Rot. Bonds4

About N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (PubChem CID 105170205) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
PubChem CID105170205
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1snnc1C(C)C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H27N3OS/c1-11(2)13-15(21-19-18-13)14(17-3)12-6-9-20-16(10-12)7-4-5-8-16/h11-12,14,17H,4-10H2,1-3H3
InChIKeyMUAUODHNDQEGTO-UHFFFAOYSA-N
XLogP3.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 105170316
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170113
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169889
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-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016176
1-(5-iodothiophen-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010075
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105166211
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-pyridazin-4-ylmethanamine
CID 105169878
1-(2,6-difluorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79907559
(4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169794
N-methyl-1-(2-methyl-4-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106755656

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (CID 105170205) is N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is CNC(c1snnc1C(C)C)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The InChIKey is MUAUODHNDQEGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-11(2)13-15(21-19-18-13)14(17-3)12-6-9-20-16(10-12)7-4-5-8-16/h11-12,14,17H,4-10H2,1-3H3.
What are the key properties of N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine has a molecular weight of 309.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105170205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).