2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine

C13H26N4 — CID 111059809

IUPAC2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCCCN1CCCC1
InChIInChI=1S/C13H26N4/c1-12(2)11-16-13(14)15-7-3-4-8-17-9-5-6-10-17/h1,3-11H2,2H3,(H3,14,15,16)
InChIKeyBZOLWUTXIYLQTJ-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.34
Rot. Bonds7

About 2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine

2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine (PubChem CID 111059809) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine
PubChem CID111059809
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCCCN1CCCC1
InChIInChI=1S/C13H26N4/c1-12(2)11-16-13(14)15-7-3-4-8-17-9-5-6-10-17/h1,3-11H2,2H3,(H3,14,15,16)
InChIKeyBZOLWUTXIYLQTJ-UHFFFAOYSA-N
XLogP1.34
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

Guanidine, N-(4-aminobutyl)-N'-(3-methyl-2-buten-1-yl)-
CID 10081459
1-(4-Carbamimidamidobutyl)-3-(3-methylbut-2-en-1-yl)guanidine
CID 44221328
2-(2-Methylprop-2-enyl)-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111065479
2-(2-Methylprop-2-enyl)-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111065480
1-(4-Aminobutyl)-1-methyl-2-(3-methylbut-2-enyl)guanidine
CID 87780049
N'-methyl-N-prop-2-enylpyrrolidine-1-carboximidamide
CID 124175145
N'-(3-methylbut-2-enyl)pyrrolidine-1-carboximidamide
CID 10866957
N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine chloride
CID 11206274
N'-prop-2-enyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine
CID 11206275
4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butylazanium
CID 21601572
N-ethyl-3,3-dimethyl-N'-prop-2-enylpyrrolidine-1-carboximidamide
CID 99848180
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine
CID 100673187

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine (CID 111059809) is 2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine is C=C(C)C/N=C(\N)NCCCCN1CCCC1.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine?
The InChIKey is BZOLWUTXIYLQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-12(2)11-16-13(14)15-7-3-4-8-17-9-5-6-10-17/h1,3-11H2,2H3,(H3,14,15,16).
What are the key properties of 2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine?
2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine has a molecular weight of 238.38 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-(4-pyrrolidin-1-ylbutyl)guanidine is sourced from PubChem (CID 111059809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).