2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide

C13H27IN4 — CID 110982902

IUPAC2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CC(C1CC1)N(C)C)NCC.I
InChIInChI=1S/C13H26N4.HI/c1-5-9-15-13(14-6-2)16-10-12(17(3)4)11-7-8-11;/h5,11-12H,1,6-10H2,2-4H3,(H2,14,15,16);1H
InChIKeyJVPYRNGQAABNIC-UHFFFAOYSA-N
MW366.29 g/mol
LogP1.69
Rot. Bonds7

About 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide

2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 110982902) has the molecular formula C13H27IN4 and a molecular weight of 366.29 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID110982902
Molecular FormulaC13H27IN4
Molecular Weight366.29 g/mol
Exact Mass366.13
IUPAC Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CC(C1CC1)N(C)C)NCC.I
InChIInChI=1S/C13H26N4.HI/c1-5-9-15-13(14-6-2)16-10-12(17(3)4)11-7-8-11;/h5,11-12H,1,6-10H2,2-4H3,(H2,14,15,16);1H
InChIKeyJVPYRNGQAABNIC-UHFFFAOYSA-N
XLogP1.69
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 51.69
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002732
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide
CID 111161966
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine
CID 111161967
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine
CID 111691544
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide
CID 111868071
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(cyclopropylmethyl)-3-ethylguanidine
CID 111868072
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234742
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125895
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-prop-2-enylguanidine
CID 111548591
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006544
2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136925955
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110981906

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide (CID 110982902) is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N/CC(C1CC1)N(C)C)NCC.I.
What is the InChIKey of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is JVPYRNGQAABNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4.HI/c1-5-9-15-13(14-6-2)16-10-12(17(3)4)11-7-8-11;/h5,11-12H,1,6-10H2,2-4H3,(H2,14,15,16);1H.
What are the key properties of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 366.29 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110982902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).