1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine

C13H28N2O2S — CID 79123111

IUPAC1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine
SMILESCCNC1CCC(N(C)CCCS(C)(=O)=O)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-14-12-6-8-13(9-7-12)15(2)10-5-11-18(3,16)17/h12-14H,4-11H2,1-3H3
InChIKeyZFHWSBORDHIDDK-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.27
Rot. Bonds7

About 1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine

1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine (PubChem CID 79123111) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine
PubChem CID79123111
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine
SMILESCCNC1CCC(N(C)CCCS(C)(=O)=O)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-14-12-6-8-13(9-7-12)15(2)10-5-11-18(3,16)17/h12-14H,4-11H2,1-3H3
InChIKeyZFHWSBORDHIDDK-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine 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

2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide
CID 114384646
6-[[4-(ethylamino)cyclohexyl]-methylamino]hexan-1-ol
CID 107701944
1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
CID 104646719
3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide
CID 106062793
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
CID 79122187
1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine
CID 102662655
4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79123042
2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide
CID 79122485
tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate
CID 126578176
N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide
CID 79122123
N-[4-(ethylamino)cyclohexyl]-N-methyl-2-propan-2-yloxyethanesulfonamide
CID 79593829
N-ethylcyclopropanamine;hydrochloride
CID 43810659

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine (CID 79123111) is 1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine is CCNC1CCC(N(C)CCCS(C)(=O)=O)CC1.
What is the InChIKey of 1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine?
The InChIKey is ZFHWSBORDHIDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-14-12-6-8-13(9-7-12)15(2)10-5-11-18(3,16)17/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine?
1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine has a molecular weight of 276.45 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79123111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).