N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide

C15H31IN4O — CID 75532851

IUPACN'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide
SMILESC=CCN/C(=N\CC(C)(C)CN(C)C)N1CCOCC1.I
InChIInChI=1S/C15H30N4O.HI/c1-6-7-16-14(19-8-10-20-11-9-19)17-12-15(2,3)13-18(4)5;/h6H,1,7-13H2,2-5H3,(H,16,17);1H
InChIKeyMGQHTYMMBTVTOC-UHFFFAOYSA-N
MW410.34 g/mol
LogP1.66
Rot. Bonds6

About N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide

N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide (PubChem CID 75532851) has the molecular formula C15H31IN4O and a molecular weight of 410.34 g/mol. Its IUPAC name is N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide
PubChem CID75532851
Molecular FormulaC15H31IN4O
Molecular Weight410.34 g/mol
Exact Mass410.15
IUPAC NameN'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide
SMILESC=CCN/C(=N\CC(C)(C)CN(C)C)N1CCOCC1.I
InChIInChI=1S/C15H30N4O.HI/c1-6-7-16-14(19-8-10-20-11-9-19)17-12-15(2,3)13-18(4)5;/h6H,1,7-13H2,2-5H3,(H,16,17);1H
InChIKeyMGQHTYMMBTVTOC-UHFFFAOYSA-N
XLogP1.66
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
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 N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide (CID 75532851) is N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide is C=CCN/C(=N\CC(C)(C)CN(C)C)N1CCOCC1.I.
What is the InChIKey of N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide?
The InChIKey is MGQHTYMMBTVTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.HI/c1-6-7-16-14(19-8-10-20-11-9-19)17-12-15(2,3)13-18(4)5;/h6H,1,7-13H2,2-5H3,(H,16,17);1H.
What are the key properties of N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide?
N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide has a molecular weight of 410.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 75532851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).