1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide

C16H30IN3 — CID 109468901

IUPAC1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
SMILESCCC1(CN/C(=N\C)NCCC2=CCCC2)CCC1.I
InChIInChI=1S/C16H29N3.HI/c1-3-16(10-6-11-16)13-19-15(17-2)18-12-9-14-7-4-5-8-14;/h7H,3-6,8-13H2,1-2H3,(H2,17,18,19);1H
InChIKeyHACJPRBPRNPHLC-UHFFFAOYSA-N
MW391.34 g/mol
LogP3.85
Rot. Bonds6

About 1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide

1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide (PubChem CID 109468901) has the molecular formula C16H30IN3 and a molecular weight of 391.34 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
PubChem CID109468901
Molecular FormulaC16H30IN3
Molecular Weight391.34 g/mol
Exact Mass391.15
IUPAC Name1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
SMILESCCC1(CN/C(=N\C)NCCC2=CCCC2)CCC1.I
InChIInChI=1S/C16H29N3.HI/c1-3-16(10-6-11-16)13-19-15(17-2)18-12-9-14-7-4-5-8-14;/h7H,3-6,8-13H2,1-2H3,(H2,17,18,19);1H
InChIKeyHACJPRBPRNPHLC-UHFFFAOYSA-N
XLogP3.85
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
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

N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109451716
1-[2-(Cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109468902
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide
CID 109470477
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine
CID 109470478
2-[2-(Cyclopenten-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109499247
N-[2-(cyclopenten-1-yl)ethyl]-N'-methyl-6-azaspiro[3.4]octane-6-carboximidamide;hydroiodide
CID 109744124
N-[2-(cyclopenten-1-yl)ethyl]-N'-methyl-6-azaspiro[3.4]octane-6-carboximidamide
CID 109744125
N-ethyl-N'-[(E)-pent-3-enyl]-6-azaspiro[3.4]octane-6-carboximidamide;hydroiodide
CID 109745634
N-ethyl-N'-[(E)-pent-3-enyl]-6-azaspiro[3.4]octane-6-carboximidamide
CID 109745635
N-[2-(cyclohexen-1-yl)ethyl]-N'-methyl-6-azaspiro[3.4]octane-6-carboximidamide;hydroiodide
CID 109745904
N-[2-(cyclohexen-1-yl)ethyl]-N'-methyl-6-azaspiro[3.4]octane-6-carboximidamide
CID 109745905
N'-[2-(cyclopenten-1-yl)ethyl]-N-ethyl-6-azaspiro[3.4]octane-6-carboximidamide;hydroiodide
CID 109747194

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide (CID 109468901) is 1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide is CCC1(CN/C(=N\C)NCCC2=CCCC2)CCC1.I.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide?
The InChIKey is HACJPRBPRNPHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3.HI/c1-3-16(10-6-11-16)13-19-15(17-2)18-12-9-14-7-4-5-8-14;/h7H,3-6,8-13H2,1-2H3,(H2,17,18,19);1H.
What are the key properties of 1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide?
1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide has a molecular weight of 391.34 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 109468901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).