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

C14H22N2S — CID 63177157

IUPACN'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide
SMILESCCC(/N=C(\N)C1CCCCC1)c1cccs1
InChIInChI=1S/C14H22N2S/c1-2-12(13-9-6-10-17-13)16-14(15)11-7-4-3-5-8-11/h6,9-12H,2-5,7-8H2,1H3,(H2,15,16)
InChIKeyBDCAPYLGOOFAHR-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.14
Rot. Bonds4

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

N'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide (PubChem CID 63177157) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide
PubChem CID63177157
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide
SMILESCCC(/N=C(\N)C1CCCCC1)c1cccs1
InChIInChI=1S/C14H22N2S/c1-2-12(13-9-6-10-17-13)16-14(15)11-7-4-3-5-8-11/h6,9-12H,2-5,7-8H2,1H3,(H2,15,16)
InChIKeyBDCAPYLGOOFAHR-UHFFFAOYSA-N
XLogP4.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.14
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'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide
CID 55158236
N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide
CID 63175965
N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide
CID 55158432
1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine
CID 116513897
2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62370226
N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide
CID 63181794
1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513895
N'-(1-pyridin-4-ylethyl)cyclohexanecarboximidamide
CID 55160157
2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine
CID 62370058
2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone
CID 116601534
2-amino-N-(1-cyclohexylpropyl)-2-thiophen-2-ylacetamide
CID 115287171
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide
CID 110663593

Frequently Asked Questions

What is the IUPAC name of N'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide?
The IUPAC name of N'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide (CID 63177157) is N'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide is CCC(/N=C(\N)C1CCCCC1)c1cccs1.
What is the InChIKey of N'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide?
The InChIKey is BDCAPYLGOOFAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-2-12(13-9-6-10-17-13)16-14(15)11-7-4-3-5-8-11/h6,9-12H,2-5,7-8H2,1H3,(H2,15,16).
What are the key properties of N'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide?
N'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide has a molecular weight of 250.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63177157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).