N-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine

C12H24N2O2 — CID 114467737

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine
SMILESC=C(C)COCCNCCN1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-12(2)11-16-8-4-13-3-5-14-6-9-15-10-7-14/h13H,1,3-11H2,2H3
InChIKeyPUOPGSGPDDLHQH-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.50
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine

N-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine (PubChem CID 114467737) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine
PubChem CID114467737
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine
SMILESC=C(C)COCCNCCN1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-12(2)11-16-8-4-13-3-5-14-6-9-15-10-7-14/h13H,1,3-11H2,2H3
InChIKeyPUOPGSGPDDLHQH-UHFFFAOYSA-N
XLogP0.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
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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Related Compounds

2-Piperazin-1-ylethyl 2-methylprop-2-enoate
CID 17768440
2-(2-Methylprop-2-enoxymethyl)piperazine
CID 58625933
2-methyl-N-(2-morpholin-4-ylethyl)prop-2-en-1-amine
CID 60687136
1-Methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine
CID 68076579
(2R)-2-(2-methylprop-2-enoxymethyl)piperazine
CID 69214785
1-(2-Prop-2-enoxyethyl)piperazine
CID 82353022
3-(2-Piperazin-1-ylethoxy)prop-1-en-1-one
CID 141000267
1-[2-(2-Prop-2-enoxyethoxy)ethyl]piperazine
CID 156866527
2-methyl-N-[2-(3-methylidenemorpholin-4-yl)ethyl]propan-2-amine
CID 157542226
N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine
CID 163715916
2-methyl-N-(1-morpholin-4-ylpropan-2-yl)prop-2-en-1-amine
CID 62331538
1-{2-[(3-Methylbut-2-en-1-yl)oxy]ethyl}piperazine
CID 71378047

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine (CID 114467737) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine is C=C(C)COCCNCCN1CCOCC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine?
The InChIKey is PUOPGSGPDDLHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2)11-16-8-4-13-3-5-14-6-9-15-10-7-14/h13H,1,3-11H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine has a molecular weight of 228.34 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 114467737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).