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

C11H21N5 — CID 71514802

IUPACN'-cyclopentyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
SMILESNC(N)=N/C(=N\C1CCCC1)N1CCCC1
InChIInChI=1S/C11H21N5/c12-10(13)15-11(16-7-3-4-8-16)14-9-5-1-2-6-9/h9H,1-8H2,(H4,12,13,14,15)
InChIKeyUAXGRPVJFSVURL-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.65
Rot. Bonds1

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

N'-cyclopentyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide (PubChem CID 71514802) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-cyclopentyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
PubChem CID71514802
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN'-cyclopentyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
SMILESNC(N)=N/C(=N\C1CCCC1)N1CCCC1
InChIInChI=1S/C11H21N5/c12-10(13)15-11(16-7-3-4-8-16)14-9-5-1-2-6-9/h9H,1-8H2,(H4,12,13,14,15)
InChIKeyUAXGRPVJFSVURL-UHFFFAOYSA-N
XLogP0.65
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.65
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'-cyclopentyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-cyclopentyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide (CID 71514802) is N'-cyclopentyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-cyclopentyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide is NC(N)=N/C(=N\C1CCCC1)N1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
The InChIKey is UAXGRPVJFSVURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c12-10(13)15-11(16-7-3-4-8-16)14-9-5-1-2-6-9/h9H,1-8H2,(H4,12,13,14,15).
What are the key properties of N'-cyclopentyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
N'-cyclopentyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide has a molecular weight of 223.32 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 71514802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).