1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide

C19H36IN5 — CID 111010920

IUPAC1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide
SMILESCCN(CC)C(CN/C(=N/C)NCCCN(C)C)c1ccccc1.I
InChIInChI=1S/C19H35N5.HI/c1-6-24(7-2)18(17-12-9-8-10-13-17)16-22-19(20-3)21-14-11-15-23(4)5;/h8-10,12-13,18H,6-7,11,14-16H2,1-5H3,(H2,20,21,22);1H
InChIKeyDBADLXDQLYCZDJ-UHFFFAOYSA-N
MW461.44 g/mol
LogP2.80
Rot. Bonds10

About 1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide

1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide (PubChem CID 111010920) has the molecular formula C19H36IN5 and a molecular weight of 461.44 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide
PubChem CID111010920
Molecular FormulaC19H36IN5
Molecular Weight461.44 g/mol
Exact Mass461.20
IUPAC Name1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide
SMILESCCN(CC)C(CN/C(=N/C)NCCCN(C)C)c1ccccc1.I
InChIInChI=1S/C19H35N5.HI/c1-6-24(7-2)18(17-12-9-8-10-13-17)16-22-19(20-3)21-14-11-15-23(4)5;/h8-10,12-13,18H,6-7,11,14-16H2,1-5H3,(H2,20,21,22);1H
InChIKeyDBADLXDQLYCZDJ-UHFFFAOYSA-N
XLogP2.80
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-butyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine
CID 111151724
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine
CID 110981969
1-[2-(diethylamino)-2-phenylethyl]-3-(4-ethoxybutyl)-2-methylguanidine
CID 111010701
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine;hydroiodide
CID 111011272
1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine;hydroiodide
CID 111010990
1-[2-(dimethylamino)-2-phenylethyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627945
1-[2-(diethylamino)-2-phenylethyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine
CID 111011015
1-[3-(dimethylamino)propyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135588
1-(3-butoxypropyl)-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine
CID 111238775
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111010707
3-[[N-[2-(diethylamino)-2-phenylethyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111011259
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111011225

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide (CID 111010920) is 1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide is CCN(CC)C(CN/C(=N/C)NCCCN(C)C)c1ccccc1.I.
What is the InChIKey of 1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide?
The InChIKey is DBADLXDQLYCZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5.HI/c1-6-24(7-2)18(17-12-9-8-10-13-17)16-22-19(20-3)21-14-11-15-23(4)5;/h8-10,12-13,18H,6-7,11,14-16H2,1-5H3,(H2,20,21,22);1H.
What are the key properties of 1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide?
1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide has a molecular weight of 461.44 g/mol, XLogP of 2.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111010920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).