N-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide

C12H25N5 — CID 71514800

IUPACN-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide
SMILESCCCCCC/N=C(/N=C(N)N)N1CCCC1
InChIInChI=1S/C12H25N5/c1-2-3-4-5-8-15-12(16-11(13)14)17-9-6-7-10-17/h2-10H2,1H3,(H4,13,14,15,16)
InChIKeyCKAQHMXZUWOUQJ-UHFFFAOYSA-N
MW239.37 g/mol
LogP1.29
Rot. Bonds5

About N-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide

N-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide (PubChem CID 71514800) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is N-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide
PubChem CID71514800
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC NameN-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide
SMILESCCCCCC/N=C(/N=C(N)N)N1CCCC1
InChIInChI=1S/C12H25N5/c1-2-3-4-5-8-15-12(16-11(13)14)17-9-6-7-10-17/h2-10H2,1H3,(H4,13,14,15,16)
InChIKeyCKAQHMXZUWOUQJ-UHFFFAOYSA-N
XLogP1.29
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide (CID 71514800) is N-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide is CCCCCC/N=C(/N=C(N)N)N1CCCC1.
What is the InChIKey of N-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide?
The InChIKey is CKAQHMXZUWOUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-2-3-4-5-8-15-12(16-11(13)14)17-9-6-7-10-17/h2-10H2,1H3,(H4,13,14,15,16).
What are the key properties of N-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide?
N-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide has a molecular weight of 239.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-N'-hexylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 71514800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).