2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine

C17H30N2S — CID 64737227

IUPAC2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
SMILESCCN(Cc1cccs1)CC1C(C)CC(C)CC1NC
InChIInChI=1S/C17H30N2S/c1-5-19(11-15-7-6-8-20-15)12-16-14(3)9-13(2)10-17(16)18-4/h6-8,13-14,16-18H,5,9-12H2,1-4H3
InChIKeyAZIRAXRGDKBNMC-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.84
Rot. Bonds6

About 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine

2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64737227) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64737227
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
SMILESCCN(Cc1cccs1)CC1C(C)CC(C)CC1NC
InChIInChI=1S/C17H30N2S/c1-5-19(11-15-7-6-8-20-15)12-16-14(3)9-13(2)10-17(16)18-4/h6-8,13-14,16-18H,5,9-12H2,1-4H3
InChIKeyAZIRAXRGDKBNMC-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64737229
N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline
CID 64735056
N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557859
2-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 64736620
4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612562
N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866036
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62616177
1-ethyl-2-methyl-1-(thiophen-2-ylmethyl)hydrazine
CID 144592407
N,4-dimethyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79486822
N-methyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 55094707

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine (CID 64737227) is 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine is CCN(Cc1cccs1)CC1C(C)CC(C)CC1NC.
What is the InChIKey of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is AZIRAXRGDKBNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-19(11-15-7-6-8-20-15)12-16-14(3)9-13(2)10-17(16)18-4/h6-8,13-14,16-18H,5,9-12H2,1-4H3.
What are the key properties of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine?
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64737227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).