1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide

C15H21IN4 — CID 111751877

IUPAC1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/Cc1ccnc2ccccc12.I
InChIInChI=1S/C15H20N4.HI/c1-3-19(4-2)15(16)18-11-12-9-10-17-14-8-6-5-7-13(12)14;/h5-10H,3-4,11H2,1-2H3,(H2,16,18);1H
InChIKeyOPUZISWYIMQDPI-UHFFFAOYSA-N
MW384.27 g/mol
LogP3.01
Rot. Bonds4

About 1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide

1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide (PubChem CID 111751877) has the molecular formula C15H21IN4 and a molecular weight of 384.27 g/mol. Its IUPAC name is 1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
PubChem CID111751877
Molecular FormulaC15H21IN4
Molecular Weight384.27 g/mol
Exact Mass384.08
IUPAC Name1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/Cc1ccnc2ccccc12.I
InChIInChI=1S/C15H20N4.HI/c1-3-19(4-2)15(16)18-11-12-9-10-17-14-8-6-5-7-13(12)14;/h5-10H,3-4,11H2,1-2H3,(H2,16,18);1H
InChIKeyOPUZISWYIMQDPI-UHFFFAOYSA-N
XLogP3.01
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
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

1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine
CID 111751910
1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine
CID 111751900
1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968322
1,1-diethyl-2-[[2-(propoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111070705
1,1-diethyl-2-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111810186
1,1-diethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111078072
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
1-ethyl-3-[(2-methylphenyl)methyl]-2-(quinolin-4-ylmethyl)guanidine
CID 111968939
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine
CID 111968201
3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide
CID 79234991
1-quinolin-4-ylbutan-2-one
CID 15695851
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 109410966

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide (CID 111751877) is 1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide is CCN(CC)/C(N)=N/Cc1ccnc2ccccc12.I.
What is the InChIKey of 1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide?
The InChIKey is OPUZISWYIMQDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4.HI/c1-3-19(4-2)15(16)18-11-12-9-10-17-14-8-6-5-7-13(12)14;/h5-10H,3-4,11H2,1-2H3,(H2,16,18);1H.
What are the key properties of 1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide?
1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide has a molecular weight of 384.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111751877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).