1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine

C15H26N4 — CID 119160387

IUPAC1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccn(C)c1)NCC1CC1(C)C
InChIInChI=1S/C15H26N4/c1-5-16-14(18-10-13-8-15(13,2)3)17-9-12-6-7-19(4)11-12/h6-7,11,13H,5,8-10H2,1-4H3,(H2,16,17,18)
InChIKeyGYPPYJIAAZXXPU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.13
Rot. Bonds5

About 1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine

1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine (PubChem CID 119160387) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine
PubChem CID119160387
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccn(C)c1)NCC1CC1(C)C
InChIInChI=1S/C15H26N4/c1-5-16-14(18-10-13-8-15(13,2)3)17-9-12-6-7-19(4)11-12/h6-7,11,13H,5,8-10H2,1-4H3,(H2,16,17,18)
InChIKeyGYPPYJIAAZXXPU-UHFFFAOYSA-N
XLogP2.13
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.13
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'}

Analyze 1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]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

1-ethyl-3-(2-methylpropyl)-2-[(1-methylpyrrol-3-yl)methyl]guanidine;hydroiodide
CID 111966998
1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 119140378
1-butyl-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine
CID 111966941
1-ethyl-2-[(1-methylpyrrol-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111967566
1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-2-[(1-methylpyrrol-3-yl)methyl]guanidine;hydroiodide
CID 109478253
1-ethyl-2-[(1-methylpyrrol-3-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111967306
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(1-methylpyrrol-3-yl)methyl]guanidine;hydroiodide
CID 111967226
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine
CID 111967877
1-ethyl-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-[(1-methylpyrrol-3-yl)methyl]guanidine
CID 111990509
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(1-methylpyrrol-3-yl)methyl]guanidine;hydroiodide
CID 109410964
1-ethyl-2-[(1-methylpyrrol-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111967938
ethyl 4-[[N-ethyl-N'-[(1-methylpyrrol-3-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111967522

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine?
The IUPAC name of 1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine (CID 119160387) is 1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine?
The canonical SMILES for 1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine is CCN/C(=N\Cc1ccn(C)c1)NCC1CC1(C)C.
What is the InChIKey of 1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine?
The InChIKey is GYPPYJIAAZXXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-16-14(18-10-13-8-15(13,2)3)17-9-12-6-7-19(4)11-12/h6-7,11,13H,5,8-10H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine?
1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine has a molecular weight of 262.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine is sourced from PubChem (CID 119160387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).