2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide

C15H24IN3O — CID 111813701

IUPAC2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
SMILESCC=CCC/N=C(\N)Nc1ccc(OC(C)C)cc1.I
InChIInChI=1S/C15H23N3O.HI/c1-4-5-6-11-17-15(16)18-13-7-9-14(10-8-13)19-12(2)3;/h4-5,7-10,12H,6,11H2,1-3H3,(H3,16,17,18);1H
InChIKeyPLLKWGNAPZOSGW-UHFFFAOYSA-N
MW389.28 g/mol
LogP3.78
Rot. Bonds6

About 2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide

2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide (PubChem CID 111813701) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
PubChem CID111813701
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
SMILESCC=CCC/N=C(\N)Nc1ccc(OC(C)C)cc1.I
InChIInChI=1S/C15H23N3O.HI/c1-4-5-6-11-17-15(16)18-13-7-9-14(10-8-13)19-12(2)3;/h4-5,7-10,12H,6,11H2,1-3H3,(H3,16,17,18);1H
InChIKeyPLLKWGNAPZOSGW-UHFFFAOYSA-N
XLogP3.78
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 53.78
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-2-pent-3-enylguanidine
CID 111813726
1-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798
2-[2-(4-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111024107
1-(4-propan-2-yloxyphenyl)-2-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
CID 111089535
2-[3-(2-hydroxyethoxy)propyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 110018624
2-(3-ethoxy-4-methylpentyl)-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111823080
2-[2-(3,5-dimethylphenoxy)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111078554
1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 110924654
2-[3-(azepan-1-yl)propyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111029591
2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111811754
2-[2-(3-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111046969
N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111095030

Frequently Asked Questions

What is the IUPAC name of 2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide (CID 111813701) is 2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide is CC=CCC/N=C(\N)Nc1ccc(OC(C)C)cc1.I.
What is the InChIKey of 2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide?
The InChIKey is PLLKWGNAPZOSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.HI/c1-4-5-6-11-17-15(16)18-13-7-9-14(10-8-13)19-12(2)3;/h4-5,7-10,12H,6,11H2,1-3H3,(H3,16,17,18);1H.
What are the key properties of 2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide?
2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide has a molecular weight of 389.28 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111813701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).