N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide

C11H17N3S — CID 61360915

IUPACN-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide
SMILESCc1ccc(/C(=N/C2CCCC2)NN)s1
InChIInChI=1S/C11H17N3S/c1-8-6-7-10(15-8)11(14-12)13-9-4-2-3-5-9/h6-7,9H,2-5,12H2,1H3,(H,13,14)
InChIKeyDSYBZJNMDVMXPO-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.21
Rot. Bonds2

About N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide

N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide (PubChem CID 61360915) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide
PubChem CID61360915
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide
SMILESCc1ccc(/C(=N/C2CCCC2)NN)s1
InChIInChI=1S/C11H17N3S/c1-8-6-7-10(15-8)11(14-12)13-9-4-2-3-5-9/h6-7,9H,2-5,12H2,1H3,(H,13,14)
InChIKeyDSYBZJNMDVMXPO-UHFFFAOYSA-N
XLogP2.21
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide
CID 80538881
N-amino-4,5-dibromo-N'-cycloheptylthiophene-2-carboximidamide
CID 80538901
N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide
CID 79996593
N-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide
CID 61362940
N-amino-3-chloro-N'-cyclopentyl-2-methylbenzenecarboximidamide
CID 107099700
N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide
CID 61362135
N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63049159
N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide
CID 61361536
N-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide
CID 81260693
N-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide
CID 61361742
N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide
CID 63796658
N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide
CID 61363510

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide (CID 61360915) is N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide is Cc1ccc(/C(=N/C2CCCC2)NN)s1.
What is the InChIKey of N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide?
The InChIKey is DSYBZJNMDVMXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-8-6-7-10(15-8)11(14-12)13-9-4-2-3-5-9/h6-7,9H,2-5,12H2,1H3,(H,13,14).
What are the key properties of N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide?
N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide has a molecular weight of 223.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide is sourced from PubChem (CID 61360915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).