1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine

C13H28N2O2S — CID 62006729

IUPAC1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
SMILESCCS(=O)(=O)CCN(C)C1(CN)CCC(C)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-18(16,17)10-9-15(3)13(11-14)7-5-12(2)6-8-13/h12H,4-11,14H2,1-3H3
InChIKeyFHNURFPEHVJTHN-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.26
Rot. Bonds6

About 1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine (PubChem CID 62006729) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
PubChem CID62006729
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
SMILESCCS(=O)(=O)CCN(C)C1(CN)CCC(C)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-18(16,17)10-9-15(3)13(11-14)7-5-12(2)6-8-13/h12H,4-11,14H2,1-3H3
InChIKeyFHNURFPEHVJTHN-UHFFFAOYSA-N
XLogP1.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N,4-dimethyl-N-propylcycloheptan-1-amine
CID 65084771
1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine
CID 65094131
1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64552298
3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide
CID 62325844
1-(aminomethyl)-N,4-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112588438
1-(aminomethyl)-N-(3-methoxypropyl)-N,4-dimethylcyclohexan-1-amine
CID 62006737
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 79850059
2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol
CID 62006206
1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62006773
1-(aminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 60893094
1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine
CID 81059702

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine (CID 62006729) is 1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine is CCS(=O)(=O)CCN(C)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine?
The InChIKey is FHNURFPEHVJTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-18(16,17)10-9-15(3)13(11-14)7-5-12(2)6-8-13/h12H,4-11,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine has a molecular weight of 276.45 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 62006729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).