N-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine

C14H28N2O — CID 103069457

IUPACN-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCOC(C)(C)C1
InChIInChI=1S/C14H28N2O/c1-12(9-15-13(2,3)4)10-16-7-8-17-14(5,6)11-16/h15H,1,7-11H2,2-6H3
InChIKeyWKEUOCYYNYWQEX-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds4

About N-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine

N-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine (PubChem CID 103069457) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine
PubChem CID103069457
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCOC(C)(C)C1
InChIInChI=1S/C14H28N2O/c1-12(9-15-13(2,3)4)10-16-7-8-17-14(5,6)11-16/h15H,1,7-11H2,2-6H3
InChIKeyWKEUOCYYNYWQEX-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine (CID 103069457) is N-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)CN1CCOC(C)(C)C1.
What is the InChIKey of N-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine?
The InChIKey is WKEUOCYYNYWQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(9-15-13(2,3)4)10-16-7-8-17-14(5,6)11-16/h15H,1,7-11H2,2-6H3.
What are the key properties of N-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine?
N-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103069457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).