2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C14H21NS — CID 17206598

IUPAC2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCC2=CCCCC2)s1
InChIInChI=1S/C14H21NS/c1-12-7-8-14(16-12)11-15-10-9-13-5-3-2-4-6-13/h5,7-8,15H,2-4,6,9-11H2,1H3
InChIKeyUICJJKYELQRTOV-UHFFFAOYSA-N
MW235.40 g/mol
LogP4.04
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 17206598) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID17206598
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCC2=CCCCC2)s1
InChIInChI=1S/C14H21NS/c1-12-7-8-14(16-12)11-15-10-9-13-5-3-2-4-6-13/h5,7-8,15H,2-4,6,9-11H2,1H3
InChIKeyUICJJKYELQRTOV-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexen-1-yl)-N-[(3-methylphenyl)methyl]ethanamine chloride
CID 19627969
2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104747092
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 17206949
N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
CID 4715741
2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
CID 30056275
2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine
CID 63773625
2-(cyclohexen-1-yl)-N-[(4,5-dibromofuran-2-yl)methyl]ethanamine
CID 55032546
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline
CID 17210231
N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine
CID 115762886
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 17206598) is 2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc(CNCCC2=CCCCC2)s1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is UICJJKYELQRTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-12-7-8-14(16-12)11-15-10-9-13-5-3-2-4-6-13/h5,7-8,15H,2-4,6,9-11H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 235.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 17206598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).