1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide

C15H25IN4 — CID 111547404

IUPAC1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/Cc1ccccn1)NCC.I
InChIInChI=1S/C15H24N4.HI/c1-3-7-12-10-14(12)19-15(16-4-2)18-11-13-8-5-6-9-17-13;/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3,(H2,16,18,19);1H
InChIKeyRKWJIYSMFMWMCB-UHFFFAOYSA-N
MW388.30 g/mol
LogP2.94
Rot. Bonds6

About 1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide

1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 111547404) has the molecular formula C15H25IN4 and a molecular weight of 388.30 g/mol. Its IUPAC name is 1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
PubChem CID111547404
Molecular FormulaC15H25IN4
Molecular Weight388.30 g/mol
Exact Mass388.11
IUPAC Name1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/Cc1ccccn1)NCC.I
InChIInChI=1S/C15H24N4.HI/c1-3-7-12-10-14(12)19-15(16-4-2)18-11-13-8-5-6-9-17-13;/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3,(H2,16,18,19);1H
InChIKeyRKWJIYSMFMWMCB-UHFFFAOYSA-N
XLogP2.94
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 52.94
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

1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111980986
1-[2-(2,6-difluorophenyl)cyclopropyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111790383
1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111256893
1-ethyl-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-2-ylmethyl)guanidine
CID 129446400
1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111547627
1-ethyl-3-propan-2-yl-2-(pyridin-2-ylmethyl)guanidine
CID 111123683
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111756411
1-(3-butoxy-2,2-dimethylcyclobutyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 111756794
1-ethyl-3-pent-3-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111587968
1-(3-cyclohexylpropyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110968990
1-[2-(diethylamino)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969393

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (CID 111547404) is 1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is CCCC1CC1N/C(=N/Cc1ccccn1)NCC.I.
What is the InChIKey of 1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is RKWJIYSMFMWMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4.HI/c1-3-7-12-10-14(12)19-15(16-4-2)18-11-13-8-5-6-9-17-13;/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3,(H2,16,18,19);1H.
What are the key properties of 1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 388.30 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111547404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).