N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide

C13H20N2S — CID 63175965

IUPACN'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide
SMILESCC(/N=C(\N)C1CCCCC1)c1cccs1
InChIInChI=1S/C13H20N2S/c1-10(12-8-5-9-16-12)15-13(14)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H2,14,15)
InChIKeyQLLVRNMRJMTKTC-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.75
Rot. Bonds3

About N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide

N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide (PubChem CID 63175965) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide
PubChem CID63175965
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide
SMILESCC(/N=C(\N)C1CCCCC1)c1cccs1
InChIInChI=1S/C13H20N2S/c1-10(12-8-5-9-16-12)15-13(14)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H2,14,15)
InChIKeyQLLVRNMRJMTKTC-UHFFFAOYSA-N
XLogP3.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide
CID 55158432
N'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide
CID 63177157
N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide
CID 55158236
N'-(1-pyridin-4-ylethyl)cyclohexanecarboximidamide
CID 55160157
N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide
CID 63181794
N'-(1-cyclohexylethyl)cyclohexanecarboximidamide
CID 63178475
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
CID 60909745
2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol
CID 82314428
3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol
CID 67876769
N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879

Frequently Asked Questions

What is the IUPAC name of N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide?
The IUPAC name of N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide (CID 63175965) is N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide is CC(/N=C(\N)C1CCCCC1)c1cccs1.
What is the InChIKey of N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide?
The InChIKey is QLLVRNMRJMTKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10(12-8-5-9-16-12)15-13(14)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H2,14,15).
What are the key properties of N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide?
N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide has a molecular weight of 236.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63175965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).