N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine

C13H26N2O2 — CID 114466085

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine
SMILESC=C(C)COCCNC(C)CC1COCCN1
InChIInChI=1S/C13H26N2O2/c1-11(2)9-16-6-4-14-12(3)8-13-10-17-7-5-15-13/h12-15H,1,4-10H2,2-3H3
InChIKeyLYLZDPZWENFBMK-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.94
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine

N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine (PubChem CID 114466085) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine
PubChem CID114466085
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine
SMILESC=C(C)COCCNC(C)CC1COCCN1
InChIInChI=1S/C13H26N2O2/c1-11(2)9-16-6-4-14-12(3)8-13-10-17-7-5-15-13/h12-15H,1,4-10H2,2-3H3
InChIKeyLYLZDPZWENFBMK-UHFFFAOYSA-N
XLogP0.94
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine (CID 114466085) is N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine is C=C(C)COCCNC(C)CC1COCCN1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine?
The InChIKey is LYLZDPZWENFBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)9-16-6-4-14-12(3)8-13-10-17-7-5-15-13/h12-15H,1,4-10H2,2-3H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine has a molecular weight of 242.36 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine is sourced from PubChem (CID 114466085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).