1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine

C10H22N4 — CID 62362843

IUPAC1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
SMILESCCN/C(N)=N/CC1CCCN1CC
InChIInChI=1S/C10H22N4/c1-3-12-10(11)13-8-9-6-5-7-14(9)4-2/h9H,3-8H2,1-2H3,(H3,11,12,13)
InChIKeySVNQAZOGOIXJDA-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.39
Rot. Bonds4

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

1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine (PubChem CID 62362843) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
PubChem CID62362843
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
SMILESCCN/C(N)=N/CC1CCCN1CC
InChIInChI=1S/C10H22N4/c1-3-12-10(11)13-8-9-6-5-7-14(9)4-2/h9H,3-8H2,1-2H3,(H3,11,12,13)
InChIKeySVNQAZOGOIXJDA-UHFFFAOYSA-N
XLogP0.39
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.39
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-ethylpyrrolidin-2-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine (CID 62362843) is 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine is CCN/C(N)=N/CC1CCCN1CC.
What is the InChIKey of 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine?
The InChIKey is SVNQAZOGOIXJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-3-12-10(11)13-8-9-6-5-7-14(9)4-2/h9H,3-8H2,1-2H3,(H3,11,12,13).
What are the key properties of 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine?
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine has a molecular weight of 198.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine is sourced from PubChem (CID 62362843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).