1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine

C13H28N2O2S — CID 79850059

IUPAC1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCN(CCS(C)(=O)=O)C1(CN)CCC(C)(C)CC1
InChIInChI=1S/C13H28N2O2S/c1-12(2)5-7-13(11-14,8-6-12)15(3)9-10-18(4,16)17/h5-11,14H2,1-4H3
InChIKeyKOVLSBSLWZCERO-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.26
Rot. Bonds5

About 1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine

1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine (PubChem CID 79850059) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
PubChem CID79850059
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCN(CCS(C)(=O)=O)C1(CN)CCC(C)(C)CC1
InChIInChI=1S/C13H28N2O2S/c1-12(2)5-7-13(11-14,8-6-12)15(3)9-10-18(4,16)17/h5-11,14H2,1-4H3
InChIKeyKOVLSBSLWZCERO-UHFFFAOYSA-N
XLogP1.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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,4,4-trimethyl-N-(2-methylsulfonylethyl)cycloheptan-1-amine
CID 79849786
4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine
CID 79849787
4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
CID 79850413
1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62006773
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
CID 62006729
1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 107429103
1-(aminomethyl)-N,4,4-trimethyl-N-(3-methylbutyl)cycloheptan-1-amine
CID 65088221
N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 80705611
1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine
CID 65088133
1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine
CID 65094131
1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine
CID 81059110
1-(aminomethyl)-N-butyl-N-methylcyclopropan-1-amine
CID 106661013

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine (CID 79850059) is 1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine is CN(CCS(C)(=O)=O)C1(CN)CCC(C)(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is KOVLSBSLWZCERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-12(2)5-7-13(11-14,8-6-12)15(3)9-10-18(4,16)17/h5-11,14H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 276.45 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 79850059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).