1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide

C18H27IN4 — CID 111968322

IUPAC1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
SMILESCCCCCN/C(=N/Cc1ccnc2ccccc12)NCC.I
InChIInChI=1S/C18H26N4.HI/c1-3-5-8-12-21-18(19-4-2)22-14-15-11-13-20-17-10-7-6-9-16(15)17;/h6-7,9-11,13H,3-5,8,12,14H2,1-2H3,(H2,19,21,22);1H
InChIKeyRAVPLWHRNDWAHF-UHFFFAOYSA-N
MW426.35 g/mol
LogP4.10
Rot. Bonds7

About 1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide

1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide (PubChem CID 111968322) has the molecular formula C18H27IN4 and a molecular weight of 426.35 g/mol. Its IUPAC name is 1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
PubChem CID111968322
Molecular FormulaC18H27IN4
Molecular Weight426.35 g/mol
Exact Mass426.13
IUPAC Name1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
SMILESCCCCCN/C(=N/Cc1ccnc2ccccc12)NCC.I
InChIInChI=1S/C18H26N4.HI/c1-3-5-8-12-21-18(19-4-2)22-14-15-11-13-20-17-10-7-6-9-16(15)17;/h6-7,9-11,13H,3-5,8,12,14H2,1-2H3,(H2,19,21,22);1H
InChIKeyRAVPLWHRNDWAHF-UHFFFAOYSA-N
XLogP4.10
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 54.10
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

1-ethyl-3-(2-pyridin-2-ylethyl)-2-(quinolin-4-ylmethyl)guanidine
CID 111968487
1-(3-cyclohexyloxypropyl)-3-ethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111969120
1-ethyl-3-[(2-methylphenyl)methyl]-2-(quinolin-4-ylmethyl)guanidine
CID 111968939
1-ethyl-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111997420
1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-4-ylmethyl)guanidine
CID 111969013
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 109410966
1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 109420515
1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(quinolin-4-ylmethyl)guanidine
CID 109420516
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-pentylguanidine;hydroiodide
CID 111128660
1-ethyl-3-hexyl-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111161924
1-ethyl-3-hexyl-2-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111160876
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine
CID 111968201

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide (CID 111968322) is 1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide is CCCCCN/C(=N/Cc1ccnc2ccccc12)NCC.I.
What is the InChIKey of 1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide?
The InChIKey is RAVPLWHRNDWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4.HI/c1-3-5-8-12-21-18(19-4-2)22-14-15-11-13-20-17-10-7-6-9-16(15)17;/h6-7,9-11,13H,3-5,8,12,14H2,1-2H3,(H2,19,21,22);1H.
What are the key properties of 1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide?
1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide has a molecular weight of 426.35 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-pentyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111968322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).