2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

C18H32IN5O — CID 111056428

IUPAC2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCC(C/N=C(\N)NCCCN1CCOCC1)N(C)c1ccccc1.I
InChIInChI=1S/C18H31N5O.HI/c1-16(22(2)17-7-4-3-5-8-17)15-21-18(19)20-9-6-10-23-11-13-24-14-12-23;/h3-5,7-8,16H,6,9-15H2,1-2H3,(H3,19,20,21);1H
InChIKeyNUYBJEIBLFXSSH-UHFFFAOYSA-N
MW461.39 g/mol
LogP1.76
Rot. Bonds8

About 2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111056428) has the molecular formula C18H32IN5O and a molecular weight of 461.39 g/mol. Its IUPAC name is 2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID111056428
Molecular FormulaC18H32IN5O
Molecular Weight461.39 g/mol
Exact Mass461.17
IUPAC Name2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCC(C/N=C(\N)NCCCN1CCOCC1)N(C)c1ccccc1.I
InChIInChI=1S/C18H31N5O.HI/c1-16(22(2)17-7-4-3-5-8-17)15-21-18(19)20-9-6-10-23-11-13-24-14-12-23;/h3-5,7-8,16H,6,9-15H2,1-2H3,(H3,19,20,21);1H
InChIKeyNUYBJEIBLFXSSH-UHFFFAOYSA-N
XLogP1.76
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide 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-2-[2-(N-methylanilino)propyl]guanidine
CID 111056401
2-[2-(diethylamino)-2-phenylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111029708
1-[4-(N-methylanilino)butyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111078602
2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111055279
1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111061757
2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111799936
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111067792
2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111660241
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056058
2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111041688
2-[2-(4-methoxyphenoxy)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111801288
2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111975360

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111056428) is 2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is CC(C/N=C(\N)NCCCN1CCOCC1)N(C)c1ccccc1.I.
What is the InChIKey of 2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is NUYBJEIBLFXSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O.HI/c1-16(22(2)17-7-4-3-5-8-17)15-21-18(19)20-9-6-10-23-11-13-24-14-12-23;/h3-5,7-8,16H,6,9-15H2,1-2H3,(H3,19,20,21);1H.
What are the key properties of 2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 461.39 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111056428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).