1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine

C12H26N2O2S — CID 62006773

IUPAC1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)CCS(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-11-5-4-6-12(9-11,10-13)14(2)7-8-17(3,15)16/h11H,4-10,13H2,1-3H3
InChIKeyMDLSVBNLPMXWDN-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.87
Rot. Bonds5

About 1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine

1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine (PubChem CID 62006773) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
PubChem CID62006773
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)CCS(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O2S/c1-11-5-4-6-12(9-11,10-13)14(2)7-8-17(3,15)16/h11H,4-10,13H2,1-3H3
InChIKeyMDLSVBNLPMXWDN-UHFFFAOYSA-N
XLogP0.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 107429103
1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cycloheptan-1-amine
CID 79849786
1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 79850059
1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112588440
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide
CID 62007623
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylpropane-1-sulfonamide
CID 62007624
1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine
CID 62007114
1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine
CID 62009417
1-(aminomethyl)-N-ethyl-N-(3-ethylsulfonylpropyl)-3-methylcyclohexan-1-amine
CID 65093979
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
CID 62006729
2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62006956
4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine
CID 79849787

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine (CID 62006773) is 1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine is CC1CCCC(CN)(N(C)CCS(C)(=O)=O)C1.
What is the InChIKey of 1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is MDLSVBNLPMXWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11-5-4-6-12(9-11,10-13)14(2)7-8-17(3,15)16/h11H,4-10,13H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 62006773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).