N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide

C14H22N2S — CID 55158432

IUPACN'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide
SMILESCC(C)C(/N=C(\N)C1CCCC1)c1cccs1
InChIInChI=1S/C14H22N2S/c1-10(2)13(12-8-5-9-17-12)16-14(15)11-6-3-4-7-11/h5,8-11,13H,3-4,6-7H2,1-2H3,(H2,15,16)
InChIKeyKRNJCDWHXOCPGA-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.99
Rot. Bonds4

About N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide

N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide (PubChem CID 55158432) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide
PubChem CID55158432
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide
SMILESCC(C)C(/N=C(\N)C1CCCC1)c1cccs1
InChIInChI=1S/C14H22N2S/c1-10(2)13(12-8-5-9-17-12)16-14(15)11-6-3-4-7-11/h5,8-11,13H,3-4,6-7H2,1-2H3,(H2,15,16)
InChIKeyKRNJCDWHXOCPGA-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
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-ylethyl)cyclohexanecarboximidamide
CID 63175965
N'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide
CID 63177157
N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide
CID 55158236
N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide
CID 63173615
1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine
CID 116514136
2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine
CID 62368230
N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide
CID 63181794
N'-(1-pyridin-4-ylethyl)cyclohexanecarboximidamide
CID 55160157
N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879
1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine
CID 116514133
2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone
CID 116601534
2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol
CID 82314559

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide?
The IUPAC name of N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide (CID 55158432) is N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide is CC(C)C(/N=C(\N)C1CCCC1)c1cccs1.
What is the InChIKey of N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide?
The InChIKey is KRNJCDWHXOCPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10(2)13(12-8-5-9-17-12)16-14(15)11-6-3-4-7-11/h5,8-11,13H,3-4,6-7H2,1-2H3,(H2,15,16).
What are the key properties of N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide?
N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide has a molecular weight of 250.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide is sourced from PubChem (CID 55158432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).