1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine

C9H20N4 — CID 62363084

IUPAC1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
SMILESCCN/C(N)=N/CC1CCN(C)C1
InChIInChI=1S/C9H20N4/c1-3-11-9(10)12-6-8-4-5-13(2)7-8/h8H,3-7H2,1-2H3,(H3,10,11,12)
InChIKeyQVYXWXNUMNBEMY-UHFFFAOYSA-N
MW184.29 g/mol
LogP-0.14
Rot. Bonds3

About 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine

1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 62363084) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
PubChem CID62363084
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
SMILESCCN/C(N)=N/CC1CCN(C)C1
InChIInChI=1S/C9H20N4/c1-3-11-9(10)12-6-8-4-5-13(2)7-8/h8H,3-7H2,1-2H3,(H3,10,11,12)
InChIKeyQVYXWXNUMNBEMY-UHFFFAOYSA-N
XLogP-0.14
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 5-0.14
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-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine (CID 62363084) is 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine is CCN/C(N)=N/CC1CCN(C)C1.
What is the InChIKey of 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is QVYXWXNUMNBEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-3-11-9(10)12-6-8-4-5-13(2)7-8/h8H,3-7H2,1-2H3,(H3,10,11,12).
What are the key properties of 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine has a molecular weight of 184.29 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 62363084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).