2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine

C16H34N2O2S — CID 79842792

IUPAC2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
SMILESCN(CCS(C)(=O)=O)CC1(CNC(C)(C)C)CCCCC1
InChIInChI=1S/C16H34N2O2S/c1-15(2,3)17-13-16(9-7-6-8-10-16)14-18(4)11-12-21(5,19)20/h17H,6-14H2,1-5H3
InChIKeyITRSREUJJCQRKX-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.30
Rot. Bonds7

About 2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine

2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 79842792) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is 2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID79842792
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
SMILESCN(CCS(C)(=O)=O)CC1(CNC(C)(C)C)CCCCC1
InChIInChI=1S/C16H34N2O2S/c1-15(2,3)17-13-16(9-7-6-8-10-16)14-18(4)11-12-21(5,19)20/h17H,6-14H2,1-5H3
InChIKeyITRSREUJJCQRKX-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine with MolForge

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Related Compounds

2-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl-methylamino]ethanol
CID 62257930
N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699316
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine
CID 55051857
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine
CID 62262894
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79859219
N-[[1-[[benzyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 62262841
N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
CID 79864779
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N,2-dimethylbutan-2-amine
CID 63964314
N-[[1-[[2-methoxyethyl(propan-2-yl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82941124
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclobutan-1-amine
CID 81170494
N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 79843903
2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile
CID 79850636

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine (CID 79842792) is 2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine is CN(CCS(C)(=O)=O)CC1(CNC(C)(C)C)CCCCC1.
What is the InChIKey of 2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is ITRSREUJJCQRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-15(2,3)17-13-16(9-7-6-8-10-16)14-18(4)11-12-21(5,19)20/h17H,6-14H2,1-5H3.
What are the key properties of 2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 318.53 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 79842792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).