1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine

C19H43N5 — CID 111691494

IUPAC1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
SMILESCCN(CC)CCCCN/C(=N\C)NCCCN(C(C)C)C(C)C
InChIInChI=1S/C19H43N5/c1-8-23(9-2)15-11-10-13-21-19(20-7)22-14-12-16-24(17(3)4)18(5)6/h17-18H,8-16H2,1-7H3,(H2,20,21,22)
InChIKeyRHNGYGGTZGNAIZ-UHFFFAOYSA-N
MW341.59 g/mol
LogP2.78
Rot. Bonds13

About 1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine

1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine (PubChem CID 111691494) has the molecular formula C19H43N5 and a molecular weight of 341.59 g/mol. Its IUPAC name is 1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
PubChem CID111691494
Molecular FormulaC19H43N5
Molecular Weight341.59 g/mol
Exact Mass341.35
IUPAC Name1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
SMILESCCN(CC)CCCCN/C(=N\C)NCCCN(C(C)C)C(C)C
InChIInChI=1S/C19H43N5/c1-8-23(9-2)15-11-10-13-21-19(20-7)22-14-12-16-24(17(3)4)18(5)6/h17-18H,8-16H2,1-7H3,(H2,20,21,22)
InChIKeyRHNGYGGTZGNAIZ-UHFFFAOYSA-N
XLogP2.78
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-(diethylamino)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-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
CID 111692306
1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111178109
1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111000953
1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943172
1-[4-(diethylamino)butyl]-2,3-dimethylguanidine
CID 110917279
1-[4-(diethylamino)butyl]-3-(2-ethylbutyl)-2-methylguanidine
CID 111890669
1-[4-(diethylamino)butyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627203
1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 110998971
1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111692570
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-methylsulfonylpropyl)guanidine;hydroiodide
CID 111691437
1-[3-(diethylamino)propyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111945232

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine?
The IUPAC name of 1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine (CID 111691494) is 1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine.
What is the SMILES notation for 1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine?
The canonical SMILES for 1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine is CCN(CC)CCCCN/C(=N\C)NCCCN(C(C)C)C(C)C.
What is the InChIKey of 1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine?
The InChIKey is RHNGYGGTZGNAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N5/c1-8-23(9-2)15-11-10-13-21-19(20-7)22-14-12-16-24(17(3)4)18(5)6/h17-18H,8-16H2,1-7H3,(H2,20,21,22).
What are the key properties of 1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine?
1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine has a molecular weight of 341.59 g/mol, XLogP of 2.78, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine is sourced from PubChem (CID 111691494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).