1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine

C12H24N4 — CID 111065576

IUPAC1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCC1CCN(CC)C1
InChIInChI=1S/C12H24N4/c1-4-16-6-5-11(9-16)8-15-12(13)14-7-10(2)3/h11H,2,4-9H2,1,3H3,(H3,13,14,15)
InChIKeyPSQJOMLJLQLMJA-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.81
Rot. Bonds5

About 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine

1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine (PubChem CID 111065576) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine
PubChem CID111065576
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCC1CCN(CC)C1
InChIInChI=1S/C12H24N4/c1-4-16-6-5-11(9-16)8-15-12(13)14-7-10(2)3/h11H,2,4-9H2,1,3H3,(H3,13,14,15)
InChIKeyPSQJOMLJLQLMJA-UHFFFAOYSA-N
XLogP0.81
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.81
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'}

Analyze 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Methylpropyl)-1-prop-2-enyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 71931268
1-Butyl-3-prop-2-enyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 75462596
1-butyl-3-prop-2-enyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 96014335
1-butyl-3-prop-2-enyl-2-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 96014336
2-Methyl-1-prop-2-enyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 110982003
1-Ethyl-3-prop-2-enyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 110982005
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
2-Methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 62313634
1-[(1-Ethylpyrrolidin-3-yl)methyl]-2-methylguanidine
CID 62314182
1-Ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine
CID 62362863
2-[(1-Ethylpyrrolidin-3-yl)methyl]-1-propylguanidine
CID 62362864

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine (CID 111065576) is 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCC1CCN(CC)C1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is PSQJOMLJLQLMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-16-6-5-11(9-16)8-15-12(13)14-7-10(2)3/h11H,2,4-9H2,1,3H3,(H3,13,14,15).
What are the key properties of 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine?
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 224.35 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 111065576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).