1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide

C14H28IN3 — CID 109470477

IUPAC1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide
SMILESC/C=C/CCN/C(=N\C)NCC1(CC)CCC1.I
InChIInChI=1S/C14H27N3.HI/c1-4-6-7-11-16-13(15-3)17-12-14(5-2)9-8-10-14;/h4,6H,5,7-12H2,1-3H3,(H2,15,16,17);1H/b6-4+;
InChIKeyKTFVAFTUUIUPIA-CVDVRWGVSA-N
MW365.30 g/mol
LogP3.32
Rot. Bonds6

About 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide

1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide (PubChem CID 109470477) has the molecular formula C14H28IN3 and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide
PubChem CID109470477
Molecular FormulaC14H28IN3
Molecular Weight365.30 g/mol
Exact Mass365.13
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide
SMILESC/C=C/CCN/C(=N\C)NCC1(CC)CCC1.I
InChIInChI=1S/C14H27N3.HI/c1-4-6-7-11-16-13(15-3)17-12-14(5-2)9-8-10-14;/h4,6H,5,7-12H2,1-3H3,(H2,15,16,17);1H/b6-4+;
InChIKeyKTFVAFTUUIUPIA-CVDVRWGVSA-N
XLogP3.32
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(Cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
CID 109468901
1-[2-(Cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109468902
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 109469011
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-prop-2-enylguanidine
CID 109469012
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 109469711
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 109469712
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine
CID 109470478
2-Methyl-1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 109683374
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
1-Cyclopent-3-en-1-yl-3-(5,5-dimethylhexyl)-2-methylguanidine;hydroiodide
CID 109768638
1-Cyclopent-3-en-1-yl-3-(5,5-dimethylhexyl)-2-methylguanidine
CID 109768639

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide (CID 109470477) is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide is C/C=C/CCN/C(=N\C)NCC1(CC)CCC1.I.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide?
The InChIKey is KTFVAFTUUIUPIA-CVDVRWGVSA-N. The full InChI is InChI=1S/C14H27N3.HI/c1-4-6-7-11-16-13(15-3)17-12-14(5-2)9-8-10-14;/h4,6H,5,7-12H2,1-3H3,(H2,15,16,17);1H/b6-4+;.
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide?
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide has a molecular weight of 365.30 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide is sourced from PubChem (CID 109470477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).