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

C15H30N4O — CID 75532852

IUPACN'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide
SMILESC=CCN/C(=N\CC(C)(C)CN(C)C)N1CCOCC1
InChIInChI=1S/C15H30N4O/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)
InChIKeyFIVVABKCNGFVEB-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.04
Rot. Bonds6

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

N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide (PubChem CID 75532852) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide
PubChem CID75532852
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide
SMILESC=CCN/C(=N\CC(C)(C)CN(C)C)N1CCOCC1
InChIInChI=1S/C15H30N4O/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)
InChIKeyFIVVABKCNGFVEB-UHFFFAOYSA-N
XLogP1.04
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.04
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': '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?
The IUPAC name of N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide (CID 75532852) is N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide is C=CCN/C(=N\CC(C)(C)CN(C)C)N1CCOCC1.
What is the InChIKey of N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide?
The InChIKey is FIVVABKCNGFVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/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).
What are the key properties of N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide?
N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-prop-2-enylmorpholine-4-carboximidamide has a molecular weight of 282.43 g/mol, XLogP of 1.04, 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 is sourced from PubChem (CID 75532852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).