1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine

C13H28N4 — CID 122098286

IUPAC1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCCN1CCCC1(C)C
InChIInChI=1S/C13H28N4/c1-11(2)10-16-12(14)15-7-9-17-8-5-6-13(17,3)4/h11H,5-10H2,1-4H3,(H3,14,15,16)
InChIKeyIVVSGYXFJIBXRC-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.42
Rot. Bonds5

About 1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine

1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine (PubChem CID 122098286) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine
PubChem CID122098286
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCCN1CCCC1(C)C
InChIInChI=1S/C13H28N4/c1-11(2)10-16-12(14)15-7-9-17-8-5-6-13(17,3)4/h11H,5-10H2,1-4H3,(H3,14,15,16)
InChIKeyIVVSGYXFJIBXRC-UHFFFAOYSA-N
XLogP1.42
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
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 1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine (CID 122098286) is 1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)NCCN1CCCC1(C)C.
What is the InChIKey of 1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine?
The InChIKey is IVVSGYXFJIBXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-11(2)10-16-12(14)15-7-9-17-8-5-6-13(17,3)4/h11H,5-10H2,1-4H3,(H3,14,15,16).
What are the key properties of 1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine?
1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine has a molecular weight of 240.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 122098286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).