1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine

C16H34N4 — CID 111150541

IUPAC1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
SMILESCCCCN/C(=N\C)NCC(CC(C)C)N1CCCC1
InChIInChI=1S/C16H34N4/c1-5-6-9-18-16(17-4)19-13-15(12-14(2)3)20-10-7-8-11-20/h14-15H,5-13H2,1-4H3,(H2,17,18,19)
InChIKeyYIKRRYOCRWNYTB-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.46
Rot. Bonds8

About 1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine

1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine (PubChem CID 111150541) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine.

Molecular Properties

Compound Name1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
PubChem CID111150541
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
SMILESCCCCN/C(=N\C)NCC(CC(C)C)N1CCCC1
InChIInChI=1S/C16H34N4/c1-5-6-9-18-16(17-4)19-13-15(12-14(2)3)20-10-7-8-11-20/h14-15H,5-13H2,1-4H3,(H2,17,18,19)
InChIKeyYIKRRYOCRWNYTB-UHFFFAOYSA-N
XLogP2.46
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.46
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'}

Analyze 1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)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-butyl-2-methyl-3-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111149908
1-(2-ethoxyethyl)-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111895019
1-butan-2-yl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 110946050
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide
CID 111125178
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 111042287
1-(3-butoxypropyl)-2-methyl-3-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111239973
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111042286
1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 110934699
1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
CID 111650745
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111605609
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine
CID 111348842
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111000019

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine?
The IUPAC name of 1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine (CID 111150541) is 1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine.
What is the SMILES notation for 1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine?
The canonical SMILES for 1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine is CCCCN/C(=N\C)NCC(CC(C)C)N1CCCC1.
What is the InChIKey of 1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine?
The InChIKey is YIKRRYOCRWNYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-5-6-9-18-16(17-4)19-13-15(12-14(2)3)20-10-7-8-11-20/h14-15H,5-13H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine?
1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine has a molecular weight of 282.48 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine is sourced from PubChem (CID 111150541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).