N'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide

C13H26N4 — CID 122095587

IUPACN'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide
SMILESCC(C)(C/N=C(\N)N1CCC1)CN1CCCC1
InChIInChI=1S/C13H26N4/c1-13(2,11-16-6-3-4-7-16)10-15-12(14)17-8-5-9-17/h3-11H2,1-2H3,(H2,14,15)
InChIKeyLLYHZTYQKXZYJN-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.13
Rot. Bonds4

About N'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide

N'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide (PubChem CID 122095587) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide
PubChem CID122095587
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide
SMILESCC(C)(C/N=C(\N)N1CCC1)CN1CCCC1
InChIInChI=1S/C13H26N4/c1-13(2,11-16-6-3-4-7-16)10-15-12(14)17-8-5-9-17/h3-11H2,1-2H3,(H2,14,15)
InChIKeyLLYHZTYQKXZYJN-UHFFFAOYSA-N
XLogP1.13
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide?
The IUPAC name of N'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide (CID 122095587) is N'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide.
What is the SMILES notation for N'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide?
The canonical SMILES for N'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide is CC(C)(C/N=C(\N)N1CCC1)CN1CCCC1.
What is the InChIKey of N'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide?
The InChIKey is LLYHZTYQKXZYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-13(2,11-16-6-3-4-7-16)10-15-12(14)17-8-5-9-17/h3-11H2,1-2H3,(H2,14,15).
What are the key properties of N'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide?
N'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide has a molecular weight of 238.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide is sourced from PubChem (CID 122095587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).