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

C12H23N5 — CID 71515002

IUPACN'-cyclohexyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
SMILESNC(N)=N/C(=N\C1CCCCC1)N1CCCC1
InChIInChI=1S/C12H23N5/c13-11(14)16-12(17-8-4-5-9-17)15-10-6-2-1-3-7-10/h10H,1-9H2,(H4,13,14,15,16)
InChIKeyUEJORLFZYNABTN-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.04
Rot. Bonds1

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

N'-cyclohexyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide (PubChem CID 71515002) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N'-cyclohexyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
PubChem CID71515002
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN'-cyclohexyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
SMILESNC(N)=N/C(=N\C1CCCCC1)N1CCCC1
InChIInChI=1S/C12H23N5/c13-11(14)16-12(17-8-4-5-9-17)15-10-6-2-1-3-7-10/h10H,1-9H2,(H4,13,14,15,16)
InChIKeyUEJORLFZYNABTN-UHFFFAOYSA-N
XLogP1.04
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.04
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'-cyclohexyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-cyclohexyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide (CID 71515002) is N'-cyclohexyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-cyclohexyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide is NC(N)=N/C(=N\C1CCCCC1)N1CCCC1.
What is the InChIKey of N'-cyclohexyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
The InChIKey is UEJORLFZYNABTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c13-11(14)16-12(17-8-4-5-9-17)15-10-6-2-1-3-7-10/h10H,1-9H2,(H4,13,14,15,16).
What are the key properties of N'-cyclohexyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
N'-cyclohexyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide has a molecular weight of 237.35 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 71515002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).