1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide

C14H33IN4 — CID 111178109

IUPAC1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
SMILESCCN(CC)CCCCN/C(=N\C)NCC(C)C.I
InChIInChI=1S/C14H32N4.HI/c1-6-18(7-2)11-9-8-10-16-14(15-5)17-12-13(3)4;/h13H,6-12H2,1-5H3,(H2,15,16,17);1H
InChIKeyDFKMCWDNLSLCQH-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.55
Rot. Bonds9

About 1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide

1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 111178109) has the molecular formula C14H33IN4 and a molecular weight of 384.35 g/mol. Its IUPAC name is 1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
PubChem CID111178109
Molecular FormulaC14H33IN4
Molecular Weight384.35 g/mol
Exact Mass384.17
IUPAC Name1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
SMILESCCN(CC)CCCCN/C(=N\C)NCC(C)C.I
InChIInChI=1S/C14H32N4.HI/c1-6-18(7-2)11-9-8-10-16-14(15-5)17-12-13(3)4;/h13H,6-12H2,1-5H3,(H2,15,16,17);1H
InChIKeyDFKMCWDNLSLCQH-UHFFFAOYSA-N
XLogP2.55
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.55
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(diethylamino)butyl]-3-(2-ethylbutyl)-2-methylguanidine
CID 111890669
1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943172
1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
CID 111691494
1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111000953
1-[4-(diethylamino)butyl]-2,3-dimethylguanidine
CID 110917279
1-[4-(diethylamino)butyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627203
1-[4-(diethylamino)butyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine
CID 111621918
1-[4-(diethylamino)butyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 111936251
1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide
CID 111129262
1-[5-(diethylamino)pentan-2-yl]-3-[7-(dimethylamino)heptyl]-2-methylguanidine;hydroiodide
CID 110998176
1-[3-(diethylamino)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111702757
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]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide (CID 111178109) is 1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide is CCN(CC)CCCCN/C(=N\C)NCC(C)C.I.
What is the InChIKey of 1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is DFKMCWDNLSLCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4.HI/c1-6-18(7-2)11-9-8-10-16-14(15-5)17-12-13(3)4;/h13H,6-12H2,1-5H3,(H2,15,16,17);1H.
What are the key properties of 1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide?
1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 384.35 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111178109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).