5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine

C16H32N2S — CID 106324727

IUPAC5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCN2CCSCC2)C1
InChIInChI=1S/C16H32N2S/c1-13(2)15-5-4-14(3)12-16(15)17-6-7-18-8-10-19-11-9-18/h13-17H,4-12H2,1-3H3
InChIKeyMMCGYPZTFPXQCD-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.09
Rot. Bonds5

About 5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine

5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine (PubChem CID 106324727) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
PubChem CID106324727
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Name5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCN2CCSCC2)C1
InChIInChI=1S/C16H32N2S/c1-13(2)15-5-4-14(3)12-16(15)17-6-7-18-8-10-19-11-9-18/h13-17H,4-12H2,1-3H3
InChIKeyMMCGYPZTFPXQCD-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
2-methyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 62573622
3,4-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104854192
5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 113261734
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile
CID 115976292
6-[(5-methyl-2-propan-2-ylcyclohexyl)amino]hexan-1-ol
CID 103922216
1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
CID 103783176
4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine
CID 114173727
5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 63464522
2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 64762279
5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 113326984
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine (CID 106324727) is 5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine is CC1CCC(C(C)C)C(NCCN2CCSCC2)C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine?
The InChIKey is MMCGYPZTFPXQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-13(2)15-5-4-14(3)12-16(15)17-6-7-18-8-10-19-11-9-18/h13-17H,4-12H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine?
5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine has a molecular weight of 284.51 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 106324727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).