N-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide

C13H21N3O — CID 61362940

IUPACN-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide
SMILESCc1ccc(/C(=N/C2CCCCCC2)NN)o1
InChIInChI=1S/C13H21N3O/c1-10-8-9-12(17-10)13(16-14)15-11-6-4-2-3-5-7-11/h8-9,11H,2-7,14H2,1H3,(H,15,16)
InChIKeyAUHAXADNFJCFGN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds2

About N-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide

N-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide (PubChem CID 61362940) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide
PubChem CID61362940
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide
SMILESCc1ccc(/C(=N/C2CCCCCC2)NN)o1
InChIInChI=1S/C13H21N3O/c1-10-8-9-12(17-10)13(16-14)15-11-6-4-2-3-5-7-11/h8-9,11H,2-7,14H2,1H3,(H,15,16)
InChIKeyAUHAXADNFJCFGN-UHFFFAOYSA-N
XLogP2.52
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
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'-cycloheptyl-5-methylfuran-2-carboximidamide?
The IUPAC name of N-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide (CID 61362940) is N-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide.
What is the SMILES notation for N-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide?
The canonical SMILES for N-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide is Cc1ccc(/C(=N/C2CCCCCC2)NN)o1.
What is the InChIKey of N-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide?
The InChIKey is AUHAXADNFJCFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-9-12(17-10)13(16-14)15-11-6-4-2-3-5-7-11/h8-9,11H,2-7,14H2,1H3,(H,15,16).
What are the key properties of N-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide?
N-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide has a molecular weight of 235.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide is sourced from PubChem (CID 61362940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).