2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide

C18H30IN3O — CID 111818787

IUPAC2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide
SMILESCCOCCC/N=C(\N)NC1CC1c1ccc(C(C)C)cc1.I
InChIInChI=1S/C18H29N3O.HI/c1-4-22-11-5-10-20-18(19)21-17-12-16(17)15-8-6-14(7-9-15)13(2)3;/h6-9,13,16-17H,4-5,10-12H2,1-3H3,(H3,19,20,21);1H
InChIKeyHAOWASYOXGHECI-UHFFFAOYSA-N
MW431.36 g/mol
LogP3.61
Rot. Bonds8

About 2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide

2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide (PubChem CID 111818787) has the molecular formula C18H30IN3O and a molecular weight of 431.36 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide
PubChem CID111818787
Molecular FormulaC18H30IN3O
Molecular Weight431.36 g/mol
Exact Mass431.14
IUPAC Name2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide
SMILESCCOCCC/N=C(\N)NC1CC1c1ccc(C(C)C)cc1.I
InChIInChI=1S/C18H29N3O.HI/c1-4-22-11-5-10-20-18(19)21-17-12-16(17)15-8-6-14(7-9-15)13(2)3;/h6-9,13,16-17H,4-5,10-12H2,1-3H3,(H3,19,20,21);1H
InChIKeyHAOWASYOXGHECI-UHFFFAOYSA-N
XLogP3.61
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 53.61
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

2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine
CID 111046101
1-[2-(4-bromophenyl)cyclopropyl]-2-butylguanidine
CID 111096189
1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111819995
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111776637
2-(2-methylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 110912321
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-[2-(4-bromophenyl)cyclopropyl]-2-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111894878
1,2-dimethyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine
CID 111456401
1-[2-(4-bromophenyl)cyclopropyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111096214
1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 120606113
2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111046104
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046099

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide?
The IUPAC name of 2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide (CID 111818787) is 2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide?
The canonical SMILES for 2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide is CCOCCC/N=C(\N)NC1CC1c1ccc(C(C)C)cc1.I.
What is the InChIKey of 2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide?
The InChIKey is HAOWASYOXGHECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.HI/c1-4-22-11-5-10-20-18(19)21-17-12-16(17)15-8-6-14(7-9-15)13(2)3;/h6-9,13,16-17H,4-5,10-12H2,1-3H3,(H3,19,20,21);1H.
What are the key properties of 2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide?
2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide has a molecular weight of 431.36 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide is sourced from PubChem (CID 111818787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).