4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine

C15H26N2S — CID 55093939

IUPAC4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(CN(C)Cc2ccsc2)C1
InChIInChI=1S/C15H26N2S/c1-3-12-4-5-15(16)14(8-12)10-17(2)9-13-6-7-18-11-13/h6-7,11-12,14-15H,3-5,8-10,16H2,1-2H3
InChIKeyJJJLGCHAEWPFPU-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.33
Rot. Bonds5

About 4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine

4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 55093939) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
PubChem CID55093939
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(CN(C)Cc2ccsc2)C1
InChIInChI=1S/C15H26N2S/c1-3-12-4-5-15(16)14(8-12)10-17(2)9-13-6-7-18-11-13/h6-7,11-12,14-15H,3-5,8-10,16H2,1-2H3
InChIKeyJJJLGCHAEWPFPU-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 62615595
4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine
CID 66235906
[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 79527589
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094427
4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62615573
N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 79385237
N,4-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62616435
N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline
CID 62609281
2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol
CID 62610999
N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 43528182
N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63482196
4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 62609412

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine (CID 55093939) is 4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine is CCC1CCC(N)C(CN(C)Cc2ccsc2)C1.
What is the InChIKey of 4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is JJJLGCHAEWPFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-3-12-4-5-15(16)14(8-12)10-17(2)9-13-6-7-18-11-13/h6-7,11-12,14-15H,3-5,8-10,16H2,1-2H3.
What are the key properties of 4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 55093939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).