2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine

C12H24N4 — CID 111034803

IUPAC2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCCN1CCCC1
InChIInChI=1S/C12H24N4/c1-11(2)10-15-12(13)14-6-5-9-16-7-3-4-8-16/h1,3-10H2,2H3,(H3,13,14,15)
InChIKeyJCVYDABYHLWDQH-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.95
Rot. Bonds6

About 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine

2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 111034803) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID111034803
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCCN1CCCC1
InChIInChI=1S/C12H24N4/c1-11(2)10-15-12(13)14-6-5-9-16-7-3-4-8-16/h1,3-10H2,2H3,(H3,13,14,15)
InChIKeyJCVYDABYHLWDQH-UHFFFAOYSA-N
XLogP0.95
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.95
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

1-[3-[(3-Aminopropyl)amino]propyl]-3-(3-methylbut-2-en-1-yl)guanidine
CID 44222464
2-(2-Methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 75533014
2-(2-methylprop-2-enyl)-1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 95761549
2-(2-methylprop-2-enyl)-1-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 95761550
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
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
CID 11206275
2-Methyl-1-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62407806
2-(2-Methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 62991543
2-Methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 62991547

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine (CID 111034803) is 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine is C=C(C)C/N=C(\N)NCCCN1CCCC1.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is JCVYDABYHLWDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-11(2)10-15-12(13)14-6-5-9-16-7-3-4-8-16/h1,3-10H2,2H3,(H3,13,14,15).
What are the key properties of 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine?
2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 224.35 g/mol, XLogP of 0.95, 6 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-(3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 111034803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).