2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide

C19H25IN4 — CID 110926321

IUPAC2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide
SMILESCC(C/N=C(\N)Nc1ccccc1)N1CCc2ccccc2C1.I
InChIInChI=1S/C19H24N4.HI/c1-15(13-21-19(20)22-18-9-3-2-4-10-18)23-12-11-16-7-5-6-8-17(16)14-23;/h2-10,15H,11-14H2,1H3,(H3,20,21,22);1H
InChIKeyONAVAMDNIVSSLB-UHFFFAOYSA-N
MW436.34 g/mol
LogP3.48
Rot. Bonds4

About 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide

2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide (PubChem CID 110926321) has the molecular formula C19H25IN4 and a molecular weight of 436.34 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide
PubChem CID110926321
Molecular FormulaC19H25IN4
Molecular Weight436.34 g/mol
Exact Mass436.11
IUPAC Name2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide
SMILESCC(C/N=C(\N)Nc1ccccc1)N1CCc2ccccc2C1.I
InChIInChI=1S/C19H24N4.HI/c1-15(13-21-19(20)22-18-9-3-2-4-10-18)23-12-11-16-7-5-6-8-17(16)14-23;/h2-10,15H,11-14H2,1H3,(H3,20,21,22);1H
InChIKeyONAVAMDNIVSSLB-UHFFFAOYSA-N
XLogP3.48
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111067307
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(3,5-dimethylphenyl)guanidine
CID 111067320
1-tert-butyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]guanidine
CID 111067324
2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110935137
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110927127
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111067352
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111067338
1-butan-2-yl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]guanidine;hydroiodide
CID 110919848
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111061776
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111067740
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-(2-methoxyphenyl)guanidine
CID 111056121
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide (CID 110926321) is 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide is CC(C/N=C(\N)Nc1ccccc1)N1CCc2ccccc2C1.I.
What is the InChIKey of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide?
The InChIKey is ONAVAMDNIVSSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4.HI/c1-15(13-21-19(20)22-18-9-3-2-4-10-18)23-12-11-16-7-5-6-8-17(16)14-23;/h2-10,15H,11-14H2,1H3,(H3,20,21,22);1H.
What are the key properties of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide?
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide has a molecular weight of 436.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110926321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).