1-butyl-2-[2-(N-methylanilino)propyl]guanidine

C15H26N4 — CID 111056401

IUPAC1-butyl-2-[2-(N-methylanilino)propyl]guanidine
SMILESCCCCN/C(N)=N/CC(C)N(C)c1ccccc1
InChIInChI=1S/C15H26N4/c1-4-5-11-17-15(16)18-12-13(2)19(3)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3,(H3,16,17,18)
InChIKeyKASNUMYQHNJZTQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.22
Rot. Bonds7

About 1-butyl-2-[2-(N-methylanilino)propyl]guanidine

1-butyl-2-[2-(N-methylanilino)propyl]guanidine (PubChem CID 111056401) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-butyl-2-[2-(N-methylanilino)propyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-[2-(N-methylanilino)propyl]guanidine
PubChem CID111056401
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-butyl-2-[2-(N-methylanilino)propyl]guanidine
SMILESCCCCN/C(N)=N/CC(C)N(C)c1ccccc1
InChIInChI=1S/C15H26N4/c1-4-5-11-17-15(16)18-12-13(2)19(3)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3,(H3,16,17,18)
InChIKeyKASNUMYQHNJZTQ-UHFFFAOYSA-N
XLogP2.22
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.22
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-[2-(N-methylanilino)propyl]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-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056428
1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030277
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(N-methylanilino)propyl]guanidine
CID 111056423
1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056450
2-(2-anilino-3-methylbutyl)-1-butylguanidine
CID 111041023
1-[3-(N-ethylanilino)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111035148
1-butyl-2-(2-methyl-3-phenylmethoxypropyl)guanidine
CID 111081849
1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine
CID 111056439
1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine
CID 111027514
1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine
CID 111097623
2-hexyl-1-[2-(N-methylanilino)ethyl]guanidine
CID 111037444
1-butyl-2-[2-(2-fluorophenoxy)propyl]guanidine
CID 111684162

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[2-(N-methylanilino)propyl]guanidine?
The IUPAC name of 1-butyl-2-[2-(N-methylanilino)propyl]guanidine (CID 111056401) is 1-butyl-2-[2-(N-methylanilino)propyl]guanidine.
What is the SMILES notation for 1-butyl-2-[2-(N-methylanilino)propyl]guanidine?
The canonical SMILES for 1-butyl-2-[2-(N-methylanilino)propyl]guanidine is CCCCN/C(N)=N/CC(C)N(C)c1ccccc1.
What is the InChIKey of 1-butyl-2-[2-(N-methylanilino)propyl]guanidine?
The InChIKey is KASNUMYQHNJZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-5-11-17-15(16)18-12-13(2)19(3)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3,(H3,16,17,18).
What are the key properties of 1-butyl-2-[2-(N-methylanilino)propyl]guanidine?
1-butyl-2-[2-(N-methylanilino)propyl]guanidine has a molecular weight of 262.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[2-(N-methylanilino)propyl]guanidine is sourced from PubChem (CID 111056401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).