1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide

C18H30IN3O — CID 75532563

IUPAC1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
SMILESCCCCN/C(=N\CC1(c2ccccc2)CC1)NCCOC.I
InChIInChI=1S/C18H29N3O.HI/c1-3-4-12-19-17(20-13-14-22-2)21-15-18(10-11-18)16-8-6-5-7-9-16;/h5-9H,3-4,10-15H2,1-2H3,(H2,19,20,21);1H
InChIKeyFULCEUGWPNWOMO-UHFFFAOYSA-N
MW431.36 g/mol
LogP3.32
Rot. Bonds9

About 1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide

1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide (PubChem CID 75532563) has the molecular formula C18H30IN3O and a molecular weight of 431.36 g/mol. Its IUPAC name is 1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
PubChem CID75532563
Molecular FormulaC18H30IN3O
Molecular Weight431.36 g/mol
Exact Mass431.14
IUPAC Name1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
SMILESCCCCN/C(=N\CC1(c2ccccc2)CC1)NCCOC.I
InChIInChI=1S/C18H29N3O.HI/c1-3-4-12-19-17(20-13-14-22-2)21-15-18(10-11-18)16-8-6-5-7-9-16;/h5-9H,3-4,10-15H2,1-2H3,(H2,19,20,21);1H
InChIKeyFULCEUGWPNWOMO-UHFFFAOYSA-N
XLogP3.32
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 53.32
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'}

Analyze 1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]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-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[(1-phenylcyclobutyl)methyl]guanidine;hydroiodide
CID 111405340
1-ethyl-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-methoxypropyl)guanidine;hydroiodide
CID 110976134
1-ethyl-3-(2-methoxyethyl)-2-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110941791
1-(2-methoxyethyl)-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 75532561
1-ethyl-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111407022
1-ethyl-2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111638861
1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(3-methoxypropyl)guanidine;hydroiodide
CID 110975350
1-ethyl-2-[(1-phenylcyclopropyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111999914
1-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111149436
2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110941369
1-ethyl-3-(3-methylsulfonylpropyl)-2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide
CID 111852539
1-butyl-3-ethyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111150425

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide (CID 75532563) is 1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide is CCCCN/C(=N\CC1(c2ccccc2)CC1)NCCOC.I.
What is the InChIKey of 1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The InChIKey is FULCEUGWPNWOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.HI/c1-3-4-12-19-17(20-13-14-22-2)21-15-18(10-11-18)16-8-6-5-7-9-16;/h5-9H,3-4,10-15H2,1-2H3,(H2,19,20,21);1H.
What are the key properties of 1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide?
1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide has a molecular weight of 431.36 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-methoxyethyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 75532563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).