2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine

C15H31NO2S — CID 81025425

IUPAC2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCCCC1CCS(C)(=O)=O
InChIInChI=1S/C15H31NO2S/c1-15(2,3)16-12-14-9-7-5-6-8-13(14)10-11-19(4,17)18/h13-14,16H,5-12H2,1-4H3
InChIKeyLJSJQMGKEXQMHC-UHFFFAOYSA-N
MW289.48 g/mol
LogP3.01
Rot. Bonds5

About 2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine

2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine (PubChem CID 81025425) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine
PubChem CID81025425
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC Name2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCCCC1CCS(C)(=O)=O
InChIInChI=1S/C15H31NO2S/c1-15(2,3)16-12-14-9-7-5-6-8-13(14)10-11-19(4,17)18/h13-14,16H,5-12H2,1-4H3
InChIKeyLJSJQMGKEXQMHC-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-ethylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 106735499
2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine
CID 106735498
2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81024627
N-[(2-cyclopentylcycloheptyl)methyl]-2-methylpropan-2-amine
CID 81025228
2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine
CID 81024941
N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine
CID 81034800
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine
CID 106735488
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine
CID 106735497
N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane
CID 159032634
N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine
CID 112570097
N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide
CID 82843297
N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
CID 106735451

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine (CID 81025425) is 2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine is CC(C)(C)NCC1CCCCCC1CCS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine?
The InChIKey is LJSJQMGKEXQMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-15(2,3)16-12-14-9-7-5-6-8-13(14)10-11-19(4,17)18/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine?
2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine has a molecular weight of 289.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 81025425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).