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

C16H35IN4 — CID 111161966

IUPAC2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide
SMILESCCCCCCN/C(=N/CC(C1CC1)N(C)C)NCC.I
InChIInChI=1S/C16H34N4.HI/c1-5-7-8-9-12-18-16(17-6-2)19-13-15(20(3)4)14-10-11-14;/h14-15H,5-13H2,1-4H3,(H2,17,18,19);1H
InChIKeyZLPWZDAGEADREH-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.08
Rot. Bonds10

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

2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide (PubChem CID 111161966) has the molecular formula C16H35IN4 and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide
PubChem CID111161966
Molecular FormulaC16H35IN4
Molecular Weight410.39 g/mol
Exact Mass410.19
IUPAC Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide
SMILESCCCCCCN/C(=N/CC(C1CC1)N(C)C)NCC.I
InChIInChI=1S/C16H34N4.HI/c1-5-7-8-9-12-18-16(17-6-2)19-13-15(20(3)4)14-10-11-14;/h14-15H,5-13H2,1-4H3,(H2,17,18,19);1H
InChIKeyZLPWZDAGEADREH-UHFFFAOYSA-N
XLogP3.08
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.08
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

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-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002732
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110982902
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine
CID 111129457
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006544
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
1-ethyl-3-hexyl-2-(3-hydroxy-2-methylpropyl)guanidine;hydroiodide
CID 111161364
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125895
2-(cyclopropylmethyl)-1-ethyl-3-pentylguanidine;hydroiodide
CID 111128884

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide?
The IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide (CID 111161966) is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide?
The canonical SMILES for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide is CCCCCCN/C(=N/CC(C1CC1)N(C)C)NCC.I.
What is the InChIKey of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide?
The InChIKey is ZLPWZDAGEADREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4.HI/c1-5-7-8-9-12-18-16(17-6-2)19-13-15(20(3)4)14-10-11-14;/h14-15H,5-13H2,1-4H3,(H2,17,18,19);1H.
What are the key properties of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide?
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide has a molecular weight of 410.39 g/mol, XLogP of 3.08, 10 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-hexylguanidine;hydroiodide is sourced from PubChem (CID 111161966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).