N-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine

C17H36N2S — CID 115987499

IUPACN-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1CN(C)C(CC)CSC
InChIInChI=1S/C17H36N2S/c1-7-15(12-20-6)19(5)11-16-14(4)9-13(3)10-17(16)18-8-2/h13-18H,7-12H2,1-6H3
InChIKeyYJIQMMKXMMBDNI-UHFFFAOYSA-N
MW300.56 g/mol
LogP3.72
Rot. Bonds8

About N-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine (PubChem CID 115987499) has the molecular formula C17H36N2S and a molecular weight of 300.56 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine
PubChem CID115987499
Molecular FormulaC17H36N2S
Molecular Weight300.56 g/mol
Exact Mass300.26
IUPAC NameN-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1CN(C)C(CC)CSC
InChIInChI=1S/C17H36N2S/c1-7-15(12-20-6)19(5)11-16-14(4)9-13(3)10-17(16)18-8-2/h13-18H,7-12H2,1-6H3
InChIKeyYJIQMMKXMMBDNI-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

2-[[cyclopropyl(methyl)amino]methyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64737005
N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 64734674
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734671
2-[ethyl-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]amino]ethanol
CID 64735434
N-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine
CID 82744008
N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79310026
2-[[ethyl(methyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736412
N-methyl-N-[(3-methylpiperidin-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 107069430
1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 64722812
2-[[cyclopropylmethyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736455
2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine
CID 64723005
N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 112660970

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine (CID 115987499) is N-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine is CCNC1CC(C)CC(C)C1CN(C)C(CC)CSC.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine?
The InChIKey is YJIQMMKXMMBDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2S/c1-7-15(12-20-6)19(5)11-16-14(4)9-13(3)10-17(16)18-8-2/h13-18H,7-12H2,1-6H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine has a molecular weight of 300.56 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 115987499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).