N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine

C12H24N2O — CID 61214234

IUPACN-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)CC1CC(OC)CN1
InChIInChI=1S/C12H24N2O/c1-5-14(8-10(2)3)9-11-6-12(15-4)7-13-11/h11-13H,2,5-9H2,1,3-4H3
InChIKeyYOXZPURCMIQGFR-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds6

About N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine

N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine (PubChem CID 61214234) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine
PubChem CID61214234
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)CC1CC(OC)CN1
InChIInChI=1S/C12H24N2O/c1-5-14(8-10(2)3)9-11-6-12(15-4)7-13-11/h11-13H,2,5-9H2,1,3-4H3
InChIKeyYOXZPURCMIQGFR-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine (CID 61214234) is N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine is C=C(C)CN(CC)CC1CC(OC)CN1.
What is the InChIKey of N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine?
The InChIKey is YOXZPURCMIQGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-14(8-10(2)3)9-11-6-12(15-4)7-13-11/h11-13H,2,5-9H2,1,3-4H3.
What are the key properties of N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine?
N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 61214234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).