2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide

C10H21IN4O — CID 110927713

IUPAC2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CC1CN(C)CCO1.I
InChIInChI=1S/C10H20N4O.HI/c1-3-4-12-10(11)13-7-9-8-14(2)5-6-15-9;/h3,9H,1,4-8H2,2H3,(H3,11,12,13);1H
InChIKeyJHHZKSYVKZRERL-UHFFFAOYSA-N
MW340.21 g/mol
LogP0.03
Rot. Bonds4

About 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide

2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide (PubChem CID 110927713) has the molecular formula C10H21IN4O and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
PubChem CID110927713
Molecular FormulaC10H21IN4O
Molecular Weight340.21 g/mol
Exact Mass340.08
IUPAC Name2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CC1CN(C)CCO1.I
InChIInChI=1S/C10H20N4O.HI/c1-3-4-12-10(11)13-7-9-8-14(2)5-6-15-9;/h3,9H,1,4-8H2,2H3,(H3,11,12,13);1H
InChIKeyJHHZKSYVKZRERL-UHFFFAOYSA-N
XLogP0.03
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide (CID 110927713) is 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide is C=CCN/C(N)=N/CC1CN(C)CCO1.I.
What is the InChIKey of 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide?
The InChIKey is JHHZKSYVKZRERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O.HI/c1-3-4-12-10(11)13-7-9-8-14(2)5-6-15-9;/h3,9H,1,4-8H2,2H3,(H3,11,12,13);1H.
What are the key properties of 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide?
2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide has a molecular weight of 340.21 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110927713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).