1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine

C15H34N4 — CID 111692306

IUPAC1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
SMILESCCCCN/C(=N\C)NCCCN(C(C)C)C(C)C
InChIInChI=1S/C15H34N4/c1-7-8-10-17-15(16-6)18-11-9-12-19(13(2)3)14(4)5/h13-14H,7-12H2,1-6H3,(H2,16,17,18)
InChIKeyCYNBAMKSXLQZPU-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.46
Rot. Bonds9

About 1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine

1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine (PubChem CID 111692306) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
PubChem CID111692306
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC Name1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
SMILESCCCCN/C(=N\C)NCCCN(C(C)C)C(C)C
InChIInChI=1S/C15H34N4/c1-7-8-10-17-15(16-6)18-11-9-12-19(13(2)3)14(4)5/h13-14H,7-12H2,1-6H3,(H2,16,17,18)
InChIKeyCYNBAMKSXLQZPU-UHFFFAOYSA-N
XLogP2.46
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
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-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine 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-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
CID 111691494
1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111692570
1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111691437
3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111691859
ethyl 4-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]butanoate
CID 111691948
methyl 3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111692185
methyl 5-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]pentanoate
CID 111692592
1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111692531
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-butyl-2-methylguanidine
CID 111152364
1-[3-[di(propan-2-yl)amino]propyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111691909
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111691207
1-butyl-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111150099

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine?
The IUPAC name of 1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine (CID 111692306) is 1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine.
What is the SMILES notation for 1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine?
The canonical SMILES for 1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine is CCCCN/C(=N\C)NCCCN(C(C)C)C(C)C.
What is the InChIKey of 1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine?
The InChIKey is CYNBAMKSXLQZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-7-8-10-17-15(16-6)18-11-9-12-19(13(2)3)14(4)5/h13-14H,7-12H2,1-6H3,(H2,16,17,18).
What are the key properties of 1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine?
1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine has a molecular weight of 270.46 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine is sourced from PubChem (CID 111692306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).