3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine

C15H31NOS — CID 103991395

IUPAC3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine
SMILESCC(CCNC1CC(C)(C)CC(C)(C)C1)S(C)=O
InChIInChI=1S/C15H31NOS/c1-12(18(6)17)7-8-16-13-9-14(2,3)11-15(4,5)10-13/h12-13,16H,7-11H2,1-6H3
InChIKeyJOHSPDBJVFUIPI-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.34
Rot. Bonds5

About 3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine

3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine (PubChem CID 103991395) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine
PubChem CID103991395
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC Name3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine
SMILESCC(CCNC1CC(C)(C)CC(C)(C)C1)S(C)=O
InChIInChI=1S/C15H31NOS/c1-12(18(6)17)7-8-16-13-9-14(2,3)11-15(4,5)10-13/h12-13,16H,7-11H2,1-6H3
InChIKeyJOHSPDBJVFUIPI-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
CID 112681822
3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine
CID 112681903
3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 112681935
N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103966111
2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103966158
N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 113362658
N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998876
N-(3-methylsulfinylbutyl)-1-prop-2-ynylpiperidin-4-amine
CID 115894458
N-(3-methylsulfinylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115901511
2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine
CID 115894507
2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid
CID 103264696
(1R,2S,4R)-2,4-dimethyl-N-[(3R)-3-[(R)-methylsulfinyl]butyl]cyclohexan-1-amine
CID 99854373

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine (CID 103991395) is 3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine is CC(CCNC1CC(C)(C)CC(C)(C)C1)S(C)=O.
What is the InChIKey of 3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine?
The InChIKey is JOHSPDBJVFUIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NOS/c1-12(18(6)17)7-8-16-13-9-14(2,3)11-15(4,5)10-13/h12-13,16H,7-11H2,1-6H3.
What are the key properties of 3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine?
3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine has a molecular weight of 273.49 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 103991395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).