N-amino-N'-cyclopentyl-4-methylthiophene-3-carboximidamide

C11H17N3S — CID 79808051

IUPACN-amino-N'-cyclopentyl-4-methylthiophene-3-carboximidamide
SMILESCc1cscc1/C(=N/C1CCCC1)NN
InChIInChI=1S/C11H17N3S/c1-8-6-15-7-10(8)11(14-12)13-9-4-2-3-5-9/h6-7,9H,2-5,12H2,1H3,(H,13,14)
InChIKeyUNHXKHMZQPCQKQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.21
Rot. Bonds2

About N-amino-N'-cyclopentyl-4-methylthiophene-3-carboximidamide

N-amino-N'-cyclopentyl-4-methylthiophene-3-carboximidamide (PubChem CID 79808051) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-4-methylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-4-methylthiophene-3-carboximidamide
PubChem CID79808051
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-amino-N'-cyclopentyl-4-methylthiophene-3-carboximidamide
SMILESCc1cscc1/C(=N/C1CCCC1)NN
InChIInChI=1S/C11H17N3S/c1-8-6-15-7-10(8)11(14-12)13-9-4-2-3-5-9/h6-7,9H,2-5,12H2,1H3,(H,13,14)
InChIKeyUNHXKHMZQPCQKQ-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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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-4-methylthiophene-3-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-4-methylthiophene-3-carboximidamide (CID 79808051) is N-amino-N'-cyclopentyl-4-methylthiophene-3-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-4-methylthiophene-3-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-4-methylthiophene-3-carboximidamide is Cc1cscc1/C(=N/C1CCCC1)NN.
What is the InChIKey of N-amino-N'-cyclopentyl-4-methylthiophene-3-carboximidamide?
The InChIKey is UNHXKHMZQPCQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-8-6-15-7-10(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-4-methylthiophene-3-carboximidamide?
N-amino-N'-cyclopentyl-4-methylthiophene-3-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-4-methylthiophene-3-carboximidamide is sourced from PubChem (CID 79808051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).