2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine

C11H24N4 — CID 62362864

IUPAC2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1CCN(CC)C1
InChIInChI=1S/C11H24N4/c1-3-6-13-11(12)14-8-10-5-7-15(4-2)9-10/h10H,3-9H2,1-2H3,(H3,12,13,14)
InChIKeyVRARBNTYOAHMSX-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.64
Rot. Bonds5

About 2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine

2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine (PubChem CID 62362864) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine
PubChem CID62362864
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1CCN(CC)C1
InChIInChI=1S/C11H24N4/c1-3-6-13-11(12)14-8-10-5-7-15(4-2)9-10/h10H,3-9H2,1-2H3,(H3,12,13,14)
InChIKeyVRARBNTYOAHMSX-UHFFFAOYSA-N
XLogP0.64
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.64
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 2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine (CID 62362864) is 2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine is CCCN/C(N)=N/CC1CCN(CC)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine?
The InChIKey is VRARBNTYOAHMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-3-6-13-11(12)14-8-10-5-7-15(4-2)9-10/h10H,3-9H2,1-2H3,(H3,12,13,14).
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine?
2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine has a molecular weight of 212.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)methyl]-1-propylguanidine is sourced from PubChem (CID 62362864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).