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

C19H30N4 — CID 111262495

IUPAC1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine
SMILESCCN/C(=N\CC1CCCN1CC)NC1CC1c1ccccc1
InChIInChI=1S/C19H30N4/c1-3-20-19(21-14-16-11-8-12-23(16)4-2)22-18-13-17(18)15-9-6-5-7-10-15/h5-7,9-10,16-18H,3-4,8,11-14H2,1-2H3,(H2,20,21,22)
InChIKeyJSXZMXHDGLRZHF-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.58
Rot. Bonds6

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

1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine (PubChem CID 111262495) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine
PubChem CID111262495
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine
SMILESCCN/C(=N\CC1CCCN1CC)NC1CC1c1ccccc1
InChIInChI=1S/C19H30N4/c1-3-20-19(21-14-16-11-8-12-23(16)4-2)22-18-13-17(18)15-9-6-5-7-10-15/h5-7,9-10,16-18H,3-4,8,11-14H2,1-2H3,(H2,20,21,22)
InChIKeyJSXZMXHDGLRZHF-UHFFFAOYSA-N
XLogP2.58
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.58
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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Related Compounds

2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046131
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111263084
1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
CID 47091817
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909171
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylethyl)guanidine
CID 111133997
1-[2-(3-chlorophenyl)cyclopropyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111818868
1-[2-(3-chlorophenyl)cyclopropyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111818867
1-ethyl-2-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-(2-phenylcyclopropyl)guanidine
CID 111666686
2-[(1-benzylpyrrolidin-2-yl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 111583369
2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111152146
1-ethyl-2-(2-methylpropyl)-3-(2-phenylcyclopropyl)guanidine
CID 111180959
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-hydroxy-3-phenylpropyl)guanidine;hydroiodide
CID 111664989

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine?
The IUPAC name of 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine (CID 111262495) is 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine is CCN/C(=N\CC1CCCN1CC)NC1CC1c1ccccc1.
What is the InChIKey of 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine?
The InChIKey is JSXZMXHDGLRZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-3-20-19(21-14-16-11-8-12-23(16)4-2)22-18-13-17(18)15-9-6-5-7-10-15/h5-7,9-10,16-18H,3-4,8,11-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine?
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine has a molecular weight of 314.48 g/mol, XLogP of 2.58, 6 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]-3-(2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 111262495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).