1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide

C15H35IN4 — CID 111943172

IUPAC1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
SMILESCCN(CC)CCCN/C(=N/C)NCCCC(C)C.I
InChIInChI=1S/C15H34N4.HI/c1-6-19(7-2)13-9-12-18-15(16-5)17-11-8-10-14(3)4;/h14H,6-13H2,1-5H3,(H2,16,17,18);1H
InChIKeyLRVCIMBATSBXBV-UHFFFAOYSA-N
MW398.38 g/mol
LogP2.94
Rot. Bonds10

About 1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide

1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide (PubChem CID 111943172) has the molecular formula C15H35IN4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
PubChem CID111943172
Molecular FormulaC15H35IN4
Molecular Weight398.38 g/mol
Exact Mass398.19
IUPAC Name1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
SMILESCCN(CC)CCCN/C(=N/C)NCCCC(C)C.I
InChIInChI=1S/C15H34N4.HI/c1-6-19(7-2)13-9-12-18-15(16-5)17-11-8-10-14(3)4;/h14H,6-13H2,1-5H3,(H2,16,17,18);1H
InChIKeyLRVCIMBATSBXBV-UHFFFAOYSA-N
XLogP2.94
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 52.94
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]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111178109
1-butyl-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111150099
1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
CID 111691494
1-[3-(diethylamino)propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471248
1-[4-(diethylamino)butyl]-2,3-dimethylguanidine
CID 110917279
1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111000953
1-[3-(diethylamino)propyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111945232
2-methyl-1-(4-methylpentyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345700
1-[4-(diethylamino)butyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627203
1-[4-(diethylamino)butyl]-3-(2-ethylbutyl)-2-methylguanidine
CID 111890669
1-[5-(diethylamino)pentan-2-yl]-3-[7-(dimethylamino)heptyl]-2-methylguanidine;hydroiodide
CID 110998176
2-methyl-1,3-bis(3-methylbutyl)guanidine;hydroiodide
CID 110978186

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide?
The IUPAC name of 1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide (CID 111943172) is 1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide?
The canonical SMILES for 1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide is CCN(CC)CCCN/C(=N/C)NCCCC(C)C.I.
What is the InChIKey of 1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide?
The InChIKey is LRVCIMBATSBXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4.HI/c1-6-19(7-2)13-9-12-18-15(16-5)17-11-8-10-14(3)4;/h14H,6-13H2,1-5H3,(H2,16,17,18);1H.
What are the key properties of 1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide?
1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide has a molecular weight of 398.38 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide is sourced from PubChem (CID 111943172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).