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

C13H26N4 — CID 110980177

IUPAC2-methyl-1-prop-2-enyl-3-(2-pyrrolidin-1-ylbutyl)guanidine
SMILESC=CCN/C(=N\C)NCC(CC)N1CCCC1
InChIInChI=1S/C13H26N4/c1-4-8-15-13(14-3)16-11-12(5-2)17-9-6-7-10-17/h4,12H,1,5-11H2,2-3H3,(H2,14,15,16)
InChIKeyUVSIJNHYNZJCJI-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.21
Rot. Bonds6

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

2-methyl-1-prop-2-enyl-3-(2-pyrrolidin-1-ylbutyl)guanidine (PubChem CID 110980177) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enyl-3-(2-pyrrolidin-1-ylbutyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-prop-2-enyl-3-(2-pyrrolidin-1-ylbutyl)guanidine
PubChem CID110980177
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-methyl-1-prop-2-enyl-3-(2-pyrrolidin-1-ylbutyl)guanidine
SMILESC=CCN/C(=N\C)NCC(CC)N1CCCC1
InChIInChI=1S/C13H26N4/c1-4-8-15-13(14-3)16-11-12(5-2)17-9-6-7-10-17/h4,12H,1,5-11H2,2-3H3,(H2,14,15,16)
InChIKeyUVSIJNHYNZJCJI-UHFFFAOYSA-N
XLogP1.21
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.21
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 2-methyl-1-prop-2-enyl-3-(2-pyrrolidin-1-ylbutyl)guanidine?
The IUPAC name of 2-methyl-1-prop-2-enyl-3-(2-pyrrolidin-1-ylbutyl)guanidine (CID 110980177) is 2-methyl-1-prop-2-enyl-3-(2-pyrrolidin-1-ylbutyl)guanidine.
What is the SMILES notation for 2-methyl-1-prop-2-enyl-3-(2-pyrrolidin-1-ylbutyl)guanidine?
The canonical SMILES for 2-methyl-1-prop-2-enyl-3-(2-pyrrolidin-1-ylbutyl)guanidine is C=CCN/C(=N\C)NCC(CC)N1CCCC1.
What is the InChIKey of 2-methyl-1-prop-2-enyl-3-(2-pyrrolidin-1-ylbutyl)guanidine?
The InChIKey is UVSIJNHYNZJCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-8-15-13(14-3)16-11-12(5-2)17-9-6-7-10-17/h4,12H,1,5-11H2,2-3H3,(H2,14,15,16).
What are the key properties of 2-methyl-1-prop-2-enyl-3-(2-pyrrolidin-1-ylbutyl)guanidine?
2-methyl-1-prop-2-enyl-3-(2-pyrrolidin-1-ylbutyl)guanidine has a molecular weight of 238.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enyl-3-(2-pyrrolidin-1-ylbutyl)guanidine is sourced from PubChem (CID 110980177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).