3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine

C16H33NO2S — CID 107759815

IUPAC3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1S(=O)(=O)CC(C)CC
InChIInChI=1S/C16H33NO2S/c1-6-8-17-15-10-13(4)9-14(5)16(15)20(18,19)11-12(3)7-2/h12-17H,6-11H2,1-5H3
InChIKeyWEIKEQPZARAZFD-UHFFFAOYSA-N
MW303.51 g/mol
LogP3.25
Rot. Bonds7

About 3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine

3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine (PubChem CID 107759815) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is 3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine
PubChem CID107759815
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC Name3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1S(=O)(=O)CC(C)CC
InChIInChI=1S/C16H33NO2S/c1-6-8-17-15-10-13(4)9-14(5)16(15)20(18,19)11-12(3)7-2/h12-17H,6-11H2,1-5H3
InChIKeyWEIKEQPZARAZFD-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine (CID 107759815) is 3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1S(=O)(=O)CC(C)CC.
What is the InChIKey of 3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine?
The InChIKey is WEIKEQPZARAZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-6-8-17-15-10-13(4)9-14(5)16(15)20(18,19)11-12(3)7-2/h12-17H,6-11H2,1-5H3.
What are the key properties of 3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine?
3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 107759815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).