1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide

C12H24IN3 — CID 109469711

IUPAC1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC1(CC)CCC1.I
InChIInChI=1S/C12H23N3.HI/c1-4-9-14-11(13-3)15-10-12(5-2)7-6-8-12;/h4H,1,5-10H2,2-3H3,(H2,13,14,15);1H
InChIKeyCEINBAFBGKNKHO-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.54
Rot. Bonds5

About 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide

1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 109469711) has the molecular formula C12H24IN3 and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID109469711
Molecular FormulaC12H24IN3
Molecular Weight337.25 g/mol
Exact Mass337.10
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC1(CC)CCC1.I
InChIInChI=1S/C12H23N3.HI/c1-4-9-14-11(13-3)15-10-12(5-2)7-6-8-12;/h4H,1,5-10H2,2-3H3,(H2,13,14,15);1H
InChIKeyCEINBAFBGKNKHO-UHFFFAOYSA-N
XLogP2.54
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 52.54
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

1-[(1-Cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 99704022
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-pentylguanidine;hydroiodide
CID 109468652
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-pentylguanidine
CID 109468653
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 109468656
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 109468662
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-propylguanidine
CID 109468663
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 109469009
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
CID 109469712
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-methylpropyl)guanidine;hydroiodide
CID 109469713
1-Butyl-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
CID 109470049

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide (CID 109469711) is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NCC1(CC)CCC1.I.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is CEINBAFBGKNKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.HI/c1-4-9-14-11(13-3)15-10-12(5-2)7-6-8-12;/h4H,1,5-10H2,2-3H3,(H2,13,14,15);1H.
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 337.25 g/mol, XLogP of 2.54, 5 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-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 109469711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).