5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol

C11H22N2O — CID 66055955

IUPAC5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol
SMILESC=C(C)CN(CC)CC1CC(O)CN1
InChIInChI=1S/C11H22N2O/c1-4-13(7-9(2)3)8-10-5-11(14)6-12-10/h10-12,14H,2,4-8H2,1,3H3
InChIKeyXJPCNSOGUOQGEP-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.61
Rot. Bonds5

About 5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol

5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol (PubChem CID 66055955) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol
PubChem CID66055955
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol
SMILESC=C(C)CN(CC)CC1CC(O)CN1
InChIInChI=1S/C11H22N2O/c1-4-13(7-9(2)3)8-10-5-11(14)6-12-10/h10-12,14H,2,4-8H2,1,3H3
InChIKeyXJPCNSOGUOQGEP-UHFFFAOYSA-N
XLogP0.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
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 5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol (CID 66055955) is 5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol is C=C(C)CN(CC)CC1CC(O)CN1.
What is the InChIKey of 5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is XJPCNSOGUOQGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-13(7-9(2)3)8-10-5-11(14)6-12-10/h10-12,14H,2,4-8H2,1,3H3.
What are the key properties of 5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol?
5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 198.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66055955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).