1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine

C14H28N4 — CID 110980179

IUPAC1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine
SMILESC=CCN/C(=N/CC(CC)N1CCCC1)NCC
InChIInChI=1S/C14H28N4/c1-4-9-16-14(15-6-3)17-12-13(5-2)18-10-7-8-11-18/h4,13H,1,5-12H2,2-3H3,(H2,15,16,17)
InChIKeyAUCVUOAWNUEALI-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.60
Rot. Bonds7

About 1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine

1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine (PubChem CID 110980179) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine
PubChem CID110980179
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine
SMILESC=CCN/C(=N/CC(CC)N1CCCC1)NCC
InChIInChI=1S/C14H28N4/c1-4-9-16-14(15-6-3)17-12-13(5-2)18-10-7-8-11-18/h4,13H,1,5-12H2,2-3H3,(H2,15,16,17)
InChIKeyAUCVUOAWNUEALI-UHFFFAOYSA-N
XLogP1.60
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.60
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-prop-2-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 71879086
2-Methyl-1-prop-2-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 71879087
2-Ethyl-1-methyl-1-pent-4-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 109495911
1,2-Dimethyl-1-pent-4-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 109498432
2-Prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110916959
2-Prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110916960
1-Ethyl-2-prop-2-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110980590
1-Ethyl-2-prop-2-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110980591
3-(2,5-dihydropyrrol-1-yl)-N-ethyl-N'-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111997850
3-(2,5-dihydropyrrol-1-yl)-N-ethyl-N'-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide
CID 111997851
3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 112033260
3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyrrolidine-1-carboximidamide
CID 112033261

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine?
The IUPAC name of 1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine (CID 110980179) is 1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine.
What is the SMILES notation for 1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine?
The canonical SMILES for 1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine is C=CCN/C(=N/CC(CC)N1CCCC1)NCC.
What is the InChIKey of 1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine?
The InChIKey is AUCVUOAWNUEALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-4-9-16-14(15-6-3)17-12-13(5-2)18-10-7-8-11-18/h4,13H,1,5-12H2,2-3H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine?
1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine has a molecular weight of 252.41 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-prop-2-enyl-2-(2-pyrrolidin-1-ylbutyl)guanidine is sourced from PubChem (CID 110980179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).