1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride

C13H22ClNS — CID 69253507

IUPAC1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
SMILESCC(NCc1cccs1)C1CCCCC1.Cl
InChIInChI=1S/C13H21NS.ClH/c1-11(12-6-3-2-4-7-12)14-10-13-8-5-9-15-13;/h5,8-9,11-12,14H,2-4,6-7,10H2,1H3;1H
InChIKeyDWPZNGYCTROALR-UHFFFAOYSA-N
MW259.85 g/mol
LogP4.23
Rot. Bonds4

About 1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride

1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride (PubChem CID 69253507) has the molecular formula C13H22ClNS and a molecular weight of 259.85 g/mol. Its IUPAC name is 1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
PubChem CID69253507
Molecular FormulaC13H22ClNS
Molecular Weight259.85 g/mol
Exact Mass259.12
IUPAC Name1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
SMILESCC(NCc1cccs1)C1CCCCC1.Cl
InChIInChI=1S/C13H21NS.ClH/c1-11(12-6-3-2-4-7-12)14-10-13-8-5-9-15-13;/h5,8-9,11-12,14H,2-4,6-7,10H2,1H3;1H
InChIKeyDWPZNGYCTROALR-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.85
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride 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

1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803
1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308377
1-cyclobutyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 115706476
N-(1-cyclopentylethyl)-3-thiophen-2-ylpropan-1-amine
CID 115897402
1-(1-ethylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308376
(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81390018
2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62071589
N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
CID 81391508
N-(1-cyclohexylethyl)-1,2-dithiophen-2-ylethanamine
CID 63478173
N-(1-cyclopentylethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722143
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride (CID 69253507) is 1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride is CC(NCc1cccs1)C1CCCCC1.Cl.
What is the InChIKey of 1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
The InChIKey is DWPZNGYCTROALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS.ClH/c1-11(12-6-3-2-4-7-12)14-10-13-8-5-9-15-13;/h5,8-9,11-12,14H,2-4,6-7,10H2,1H3;1H.
What are the key properties of 1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride has a molecular weight of 259.85 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 69253507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).