N'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide

C13H25N5 — CID 71514805

IUPACN'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
SMILESNC(N)=N/C(=N\C1CCCCCC1)N1CCCC1
InChIInChI=1S/C13H25N5/c14-12(15)17-13(18-9-5-6-10-18)16-11-7-3-1-2-4-8-11/h11H,1-10H2,(H4,14,15,16,17)
InChIKeyJAXNNGXLVRUSPJ-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.43
Rot. Bonds1

About N'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide

N'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide (PubChem CID 71514805) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
PubChem CID71514805
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
SMILESNC(N)=N/C(=N\C1CCCCCC1)N1CCCC1
InChIInChI=1S/C13H25N5/c14-12(15)17-13(18-9-5-6-10-18)16-11-7-3-1-2-4-8-11/h11H,1-10H2,(H4,14,15,16,17)
InChIKeyJAXNNGXLVRUSPJ-UHFFFAOYSA-N
XLogP1.43
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide (CID 71514805) is N'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide is NC(N)=N/C(=N\C1CCCCCC1)N1CCCC1.
What is the InChIKey of N'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
The InChIKey is JAXNNGXLVRUSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c14-12(15)17-13(18-9-5-6-10-18)16-11-7-3-1-2-4-8-11/h11H,1-10H2,(H4,14,15,16,17).
What are the key properties of N'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
N'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide has a molecular weight of 251.38 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 71514805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).