2-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine

C11H24N4 — CID 62362845

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine
SMILESCCN1CCCC1C/N=C(\N)NC(C)C
InChIInChI=1S/C11H24N4/c1-4-15-7-5-6-10(15)8-13-11(12)14-9(2)3/h9-10H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyZNMVZNNWAJVVMX-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.78
Rot. Bonds4

About 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine

2-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine (PubChem CID 62362845) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine
PubChem CID62362845
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine
SMILESCCN1CCCC1C/N=C(\N)NC(C)C
InChIInChI=1S/C11H24N4/c1-4-15-7-5-6-10(15)8-13-11(12)14-9(2)3/h9-10H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyZNMVZNNWAJVVMX-UHFFFAOYSA-N
XLogP0.78
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.78
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-2-yl)methyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine (CID 62362845) is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine is CCN1CCCC1C/N=C(\N)NC(C)C.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine?
The InChIKey is ZNMVZNNWAJVVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-4-15-7-5-6-10(15)8-13-11(12)14-9(2)3/h9-10H,4-8H2,1-3H3,(H3,12,13,14).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine?
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine has a molecular weight of 212.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 62362845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).