1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine

C16H33NO2S — CID 104989162

IUPAC1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(C1CCC(C)C(C)C1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C16H33NO2S/c1-7-10-17-15(16(4,5)20(6,18)19)14-9-8-12(2)13(3)11-14/h12-15,17H,7-11H2,1-6H3
InChIKeyGFOXYSRZHKSPLQ-UHFFFAOYSA-N
MW303.51 g/mol
LogP3.25
Rot. Bonds6

About 1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine

1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine (PubChem CID 104989162) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
PubChem CID104989162
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(C1CCC(C)C(C)C1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C16H33NO2S/c1-7-10-17-15(16(4,5)20(6,18)19)14-9-8-12(2)13(3)11-14/h12-15,17H,7-11H2,1-6H3
InChIKeyGFOXYSRZHKSPLQ-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759426
N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64739449
1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
CID 115863401
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 65399657
N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 64738638
N-[(3,4-dimethylcyclohexyl)-(1,1-dioxothiolan-3-yl)methyl]propan-1-amine
CID 115337005
1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761248
N-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine
CID 107189209
1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine
CID 104989433
N-[(3,4-dimethylcyclohexyl)-(4-iodophenyl)methyl]propan-1-amine
CID 104989552
1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720679

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine (CID 104989162) is 1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine is CCCNC(C1CCC(C)C(C)C1)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
The InChIKey is GFOXYSRZHKSPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-7-10-17-15(16(4,5)20(6,18)19)14-9-8-12(2)13(3)11-14/h12-15,17H,7-11H2,1-6H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine is sourced from PubChem (CID 104989162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).