4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide

C14H22N2OS — CID 79527612

IUPAC4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C14H22N2OS/c15-10-11-3-5-12(6-4-11)14(17)16-8-7-13-2-1-9-18-13/h1-2,9,11-12H,3-8,10,15H2,(H,16,17)
InChIKeyOBSXISJRLFCQME-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.17
Rot. Bonds5

About 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide (PubChem CID 79527612) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
PubChem CID79527612
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C14H22N2OS/c15-10-11-3-5-12(6-4-11)14(17)16-8-7-13-2-1-9-18-13/h1-2,9,11-12H,3-8,10,15H2,(H,16,17)
InChIKeyOBSXISJRLFCQME-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 103808336
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752382
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 120790556
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64816964
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610
1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119308566

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide (CID 79527612) is 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide is NCC1CCC(C(=O)NCCc2cccs2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is OBSXISJRLFCQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c15-10-11-3-5-12(6-4-11)14(17)16-8-7-13-2-1-9-18-13/h1-2,9,11-12H,3-8,10,15H2,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79527612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).