1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide

C15H30IN3 — CID 111773693

IUPAC1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\NCC)NC1CC1C1CCCCC1.I
InChIInChI=1S/C15H29N3.HI/c1-3-10-17-15(16-4-2)18-14-11-13(14)12-8-6-5-7-9-12;/h12-14H,3-11H2,1-2H3,(H2,16,17,18);1H
InChIKeyARWXIIUWKPCKKN-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.54
Rot. Bonds5

About 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide

1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide (PubChem CID 111773693) has the molecular formula C15H30IN3 and a molecular weight of 379.33 g/mol. Its IUPAC name is 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide
PubChem CID111773693
Molecular FormulaC15H30IN3
Molecular Weight379.33 g/mol
Exact Mass379.15
IUPAC Name1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\NCC)NC1CC1C1CCCCC1.I
InChIInChI=1S/C15H29N3.HI/c1-3-10-17-15(16-4-2)18-14-11-13(14)12-8-6-5-7-9-12;/h12-14H,3-11H2,1-2H3,(H2,16,17,18);1H
InChIKeyARWXIIUWKPCKKN-UHFFFAOYSA-N
XLogP3.54
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-cyclohexylcyclopropyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111775775
1-(2-cyclohexylcyclopropyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109430387
1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111774940
1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
CID 111604591
1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111819995
N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide
CID 111770684
1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide
CID 119161927
1-cyclohexyl-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110959024
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111961887
propan-2-yl 3-[[(cyclohexylamino)-(ethylamino)methylidene]amino]propanoate
CID 110958213
1-ethyl-2-(2-methylsulfanylethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713572
2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 119155537

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide?
The IUPAC name of 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide (CID 111773693) is 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide?
The canonical SMILES for 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide is CCC/N=C(\NCC)NC1CC1C1CCCCC1.I.
What is the InChIKey of 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide?
The InChIKey is ARWXIIUWKPCKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.HI/c1-3-10-17-15(16-4-2)18-14-11-13(14)12-8-6-5-7-9-12;/h12-14H,3-11H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide?
1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide has a molecular weight of 379.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide is sourced from PubChem (CID 111773693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).