1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide

C18H33IN4 — CID 111178259

IUPAC1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)C)NCCCCN(C)c1ccccc1.I
InChIInChI=1S/C18H32N4.HI/c1-5-19-18(21-15-16(2)3)20-13-9-10-14-22(4)17-11-7-6-8-12-17;/h6-8,11-12,16H,5,9-10,13-15H2,1-4H3,(H2,19,20,21);1H
InChIKeyYNCNNSNKMWIQLA-UHFFFAOYSA-N
MW432.39 g/mol
LogP3.73
Rot. Bonds9

About 1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide

1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 111178259) has the molecular formula C18H33IN4 and a molecular weight of 432.39 g/mol. Its IUPAC name is 1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide
PubChem CID111178259
Molecular FormulaC18H33IN4
Molecular Weight432.39 g/mol
Exact Mass432.17
IUPAC Name1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)C)NCCCCN(C)c1ccccc1.I
InChIInChI=1S/C18H32N4.HI/c1-5-19-18(21-15-16(2)3)20-13-9-10-14-22(4)17-11-7-6-8-12-17;/h6-8,11-12,16H,5,9-10,13-15H2,1-4H3,(H2,19,20,21);1H
InChIKeyYNCNNSNKMWIQLA-UHFFFAOYSA-N
XLogP3.73
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.39
LogP ≤ 53.73
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

1,3-diethyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110924966
1-ethyl-3-[4-(N-methylanilino)butyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110967658
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[4-(N-methylanilino)butyl]guanidine;hydroiodide
CID 111593196
1-ethyl-3-(3-methoxypropyl)-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110974626
1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide
CID 111136184
2-butyl-1-ethyl-3-[2-(N-methylanilino)ethyl]guanidine
CID 111151774
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-[4-(N-methylanilino)butyl]guanidine
CID 111665076
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide
CID 109417915
1-ethyl-3-[4-(N-methylanilino)butyl]-2-[3-(2-oxoazepan-1-yl)propyl]guanidine;hydroiodide
CID 111348209
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine
CID 111390079
1-[4-(diethylamino)butyl]-3-ethyl-2-(3-hydroxy-2-phenylpropyl)guanidine
CID 109410739
2-methyl-1-[4-(N-methylanilino)butyl]-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627777

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide (CID 111178259) is 1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)C)NCCCCN(C)c1ccccc1.I.
What is the InChIKey of 1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is YNCNNSNKMWIQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4.HI/c1-5-19-18(21-15-16(2)3)20-13-9-10-14-22(4)17-11-7-6-8-12-17;/h6-8,11-12,16H,5,9-10,13-15H2,1-4H3,(H2,19,20,21);1H.
What are the key properties of 1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide?
1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 432.39 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111178259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).