N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine

C12H24N2O — CID 107912021

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine
SMILESC=C(C)COCCNCCN1CCCC1
InChIInChI=1S/C12H24N2O/c1-12(2)11-15-10-6-13-5-9-14-7-3-4-8-14/h13H,1,3-11H2,2H3
InChIKeyZXFHWOYAMAWGOL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine

N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 107912021) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine
PubChem CID107912021
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine
SMILESC=C(C)COCCNCCN1CCCC1
InChIInChI=1S/C12H24N2O/c1-12(2)11-15-10-6-13-5-9-14-7-3-4-8-14/h13H,1,3-11H2,2H3
InChIKeyZXFHWOYAMAWGOL-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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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Related Compounds

(3R)-3-(2-methylprop-2-enoxy)pyrrolidine
CID 26191899
(3S)-3-(2-methylprop-2-enoxy)pyrrolidine
CID 26191901
3-(2-Methylprop-2-enoxy)pyrrolidine
CID 45075472
3-[(2-Methyl-2-propenyl)oxy]pyrrolidine hydrochloride
CID 46735713
1-[2-(2-Methylprop-2-enoxy)ethyl]piperazine
CID 82353032
2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106639503
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropan-1-amine
CID 106661390
N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 107446237
1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 113343766
3-(aminomethyl)-1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 113589277
N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 114465678
N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 114465949

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine (CID 107912021) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine is C=C(C)COCCNCCN1CCCC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is ZXFHWOYAMAWGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2)11-15-10-6-13-5-9-14-7-3-4-8-14/h13H,1,3-11H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 107912021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).