1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide

C15H30IN3 — CID 110965841

IUPAC1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCC1=CCCCC1)NC(C)(C)C.I
InChIInChI=1S/C15H29N3.HI/c1-5-16-14(18-15(2,3)4)17-12-11-13-9-7-6-8-10-13;/h9H,5-8,10-12H2,1-4H3,(H2,16,17,18);1H
InChIKeyGOVWQKLYLCSKGO-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.85
Rot. Bonds4

About 1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide

1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide (PubChem CID 110965841) has the molecular formula C15H30IN3 and a molecular weight of 379.33 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide
PubChem CID110965841
Molecular FormulaC15H30IN3
Molecular Weight379.33 g/mol
Exact Mass379.15
IUPAC Name1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCC1=CCCCC1)NC(C)(C)C.I
InChIInChI=1S/C15H29N3.HI/c1-5-16-14(18-15(2,3)4)17-12-11-13-9-7-6-8-10-13;/h9H,5-8,10-12H2,1-4H3,(H2,16,17,18);1H
InChIKeyGOVWQKLYLCSKGO-UHFFFAOYSA-N
XLogP3.85
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.85
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine
CID 110988630
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111605564
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111769614
N-[2-[[N'-[2-(cyclohexen-1-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111209649
2-[2-(cyclohexen-1-yl)ethyl]-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111828774
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-methylsulfonylpropyl)guanidine;hydroiodide
CID 111967118
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111687793
2-[2-(cyclohexen-1-yl)ethyl]-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine
CID 111828775
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 111209754
N-[2-[[N'-[2-(cyclohexen-1-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111208445
methyl 5-[[[2-(cyclohexen-1-yl)ethylamino]-(ethylamino)methylidene]amino]pentanoate;hydroiodide
CID 111208209
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine;hydroiodide
CID 111209199

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide (CID 110965841) is 1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide is CCN/C(=N\CCC1=CCCCC1)NC(C)(C)C.I.
What is the InChIKey of 1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide?
The InChIKey is GOVWQKLYLCSKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.HI/c1-5-16-14(18-15(2,3)4)17-12-11-13-9-7-6-8-10-13;/h9H,5-8,10-12H2,1-4H3,(H2,16,17,18);1H.
What are the key properties of 1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide?
1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide has a molecular weight of 379.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 110965841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).