1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

C13H27IN4 — CID 111056801

IUPAC1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCN1CCCCC1C.I
InChIInChI=1S/C13H26N4.HI/c1-11(2)10-16-13(14)15-7-9-17-8-5-4-6-12(17)3;/h12H,1,4-10H2,2-3H3,(H3,14,15,16);1H
InChIKeyZPUIBFYKZZXAPR-UHFFFAOYSA-N
MW366.29 g/mol
LogP1.96
Rot. Bonds5

About 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (PubChem CID 111056801) has the molecular formula C13H27IN4 and a molecular weight of 366.29 g/mol. Its IUPAC name is 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
PubChem CID111056801
Molecular FormulaC13H27IN4
Molecular Weight366.29 g/mol
Exact Mass366.13
IUPAC Name1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCN1CCCCC1C.I
InChIInChI=1S/C13H26N4.HI/c1-11(2)10-16-13(14)15-7-9-17-8-5-4-6-12(17)3;/h12H,1,4-10H2,2-3H3,(H3,14,15,16);1H
InChIKeyZPUIBFYKZZXAPR-UHFFFAOYSA-N
XLogP1.96
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (CID 111056801) is 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is C=C(C)C/N=C(\N)NCCN1CCCCC1C.I.
What is the InChIKey of 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The InChIKey is ZPUIBFYKZZXAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4.HI/c1-11(2)10-16-13(14)15-7-9-17-8-5-4-6-12(17)3;/h12H,1,4-10H2,2-3H3,(H3,14,15,16);1H.
What are the key properties of 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide has a molecular weight of 366.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is sourced from PubChem (CID 111056801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).