2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine

C18H30N4O — CID 111099258

IUPAC2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCOCCN(CC/N=C(\N)Nc1cccc(C(C)C)c1)C1CC1
InChIInChI=1S/C18H30N4O/c1-14(2)15-5-4-6-16(13-15)21-18(19)20-9-10-22(11-12-23-3)17-7-8-17/h4-6,13-14,17H,7-12H2,1-3H3,(H3,19,20,21)
InChIKeyARSKQNVBFIGWGW-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.65
Rot. Bonds9

About 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine

2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine (PubChem CID 111099258) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine
PubChem CID111099258
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCOCCN(CC/N=C(\N)Nc1cccc(C(C)C)c1)C1CC1
InChIInChI=1S/C18H30N4O/c1-14(2)15-5-4-6-16(13-15)21-18(19)20-9-10-22(11-12-23-3)17-7-8-17/h4-6,13-14,17H,7-12H2,1-3H3,(H3,19,20,21)
InChIKeyARSKQNVBFIGWGW-UHFFFAOYSA-N
XLogP2.65
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine 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

2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine
CID 111099248
2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111099183
1-(4-butan-2-ylphenyl)-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]guanidine
CID 111099212
2-(5-methoxypentyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111087608
2-[2-(2-methoxyethoxy)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111069303
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111814614
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine
CID 111099208
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111096457
2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 110018620
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111056700
methyl 3-[[amino-(3-propan-2-ylanilino)methylidene]amino]propanoate
CID 111063925
2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111034877

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine (CID 111099258) is 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine is COCCN(CC/N=C(\N)Nc1cccc(C(C)C)c1)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine?
The InChIKey is ARSKQNVBFIGWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14(2)15-5-4-6-16(13-15)21-18(19)20-9-10-22(11-12-23-3)17-7-8-17/h4-6,13-14,17H,7-12H2,1-3H3,(H3,19,20,21).
What are the key properties of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine?
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine has a molecular weight of 318.46 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 111099258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).