2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine

C12H24N2O — CID 62569077

IUPAC2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCOCC1(C)C
InChIInChI=1S/C12H24N2O/c1-5-6-13-9-11(2)14-7-8-15-10-12(14,3)4/h5,11,13H,1,6-10H2,2-4H3
InChIKeyMFOBANKXABPFFD-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds5

About 2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine

2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine (PubChem CID 62569077) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine
PubChem CID62569077
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCOCC1(C)C
InChIInChI=1S/C12H24N2O/c1-5-6-13-9-11(2)14-7-8-15-10-12(14,3)4/h5,11,13H,1,6-10H2,2-4H3
InChIKeyMFOBANKXABPFFD-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine (CID 62569077) is 2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine is C=CCNCC(C)N1CCOCC1(C)C.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine?
The InChIKey is MFOBANKXABPFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-6-13-9-11(2)14-7-8-15-10-12(14,3)4/h5,11,13H,1,6-10H2,2-4H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine?
2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 62569077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).