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

C10H21N5 — CID 71514573

IUPACN'-butyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
SMILESCCCC/N=C(/N=C(N)N)N1CCCC1
InChIInChI=1S/C10H21N5/c1-2-3-6-13-10(14-9(11)12)15-7-4-5-8-15/h2-8H2,1H3,(H4,11,12,13,14)
InChIKeyWLCMPWZXWXIUSW-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.51
Rot. Bonds3

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

N'-butyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide (PubChem CID 71514573) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is N'-butyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-butyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
PubChem CID71514573
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC NameN'-butyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
SMILESCCCC/N=C(/N=C(N)N)N1CCCC1
InChIInChI=1S/C10H21N5/c1-2-3-6-13-10(14-9(11)12)15-7-4-5-8-15/h2-8H2,1H3,(H4,11,12,13,14)
InChIKeyWLCMPWZXWXIUSW-UHFFFAOYSA-N
XLogP0.51
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.51
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'-butyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-butyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide (CID 71514573) is N'-butyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-butyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-butyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide is CCCC/N=C(/N=C(N)N)N1CCCC1.
What is the InChIKey of N'-butyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
The InChIKey is WLCMPWZXWXIUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-2-3-6-13-10(14-9(11)12)15-7-4-5-8-15/h2-8H2,1H3,(H4,11,12,13,14).
What are the key properties of N'-butyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide?
N'-butyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide has a molecular weight of 211.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 71514573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).