1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine

C13H24N2O — CID 115894078

IUPAC1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
SMILESC=C(C)COCCNC1CCN(C2CC2)C1
InChIInChI=1S/C13H24N2O/c1-11(2)10-16-8-6-14-12-5-7-15(9-12)13-3-4-13/h12-14H,1,3-10H2,2H3
InChIKeyQTSBAVRDDLXIGD-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds7

About 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine

1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine (PubChem CID 115894078) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
PubChem CID115894078
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
SMILESC=C(C)COCCNC1CCN(C2CC2)C1
InChIInChI=1S/C13H24N2O/c1-11(2)10-16-8-6-14-12-5-7-15(9-12)13-3-4-13/h12-14H,1,3-10H2,2H3
InChIKeyQTSBAVRDDLXIGD-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.41
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

2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070552
N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103070553
2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103070556
N-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103070557
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-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 107912021
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
1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine
CID 114264046
N-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 114465627
N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 114465678

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine (CID 115894078) is 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine is C=C(C)COCCNC1CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
The InChIKey is QTSBAVRDDLXIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)10-16-8-6-14-12-5-7-15(9-12)13-3-4-13/h12-14H,1,3-10H2,2H3.
What are the key properties of 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 115894078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).