N-ethyl-N-[(4-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine

C13H26N2 — CID 18713593

IUPACN-ethyl-N-[(4-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine
SMILESC=CCN1CC(C)C(CN(CC)CC)C1
InChIInChI=1S/C13H26N2/c1-5-8-15-9-12(4)13(11-15)10-14(6-2)7-3/h5,12-13H,1,6-11H2,2-4H3
InChIKeyOOCJBVHWTGDZOT-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.08
Rot. Bonds6

About N-ethyl-N-[(4-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine

N-ethyl-N-[(4-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 18713593) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-ethyl-N-[(4-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(4-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID18713593
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-ethyl-N-[(4-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine
SMILESC=CCN1CC(C)C(CN(CC)CC)C1
InChIInChI=1S/C13H26N2/c1-5-8-15-9-12(4)13(11-15)10-14(6-2)7-3/h5,12-13H,1,6-11H2,2-4H3
InChIKeyOOCJBVHWTGDZOT-UHFFFAOYSA-N
XLogP2.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(4-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine (CID 18713593) is N-ethyl-N-[(4-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(4-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(4-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine is C=CCN1CC(C)C(CN(CC)CC)C1.
What is the InChIKey of N-ethyl-N-[(4-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is OOCJBVHWTGDZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-8-15-9-12(4)13(11-15)10-14(6-2)7-3/h5,12-13H,1,6-11H2,2-4H3.
What are the key properties of N-ethyl-N-[(4-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine?
N-ethyl-N-[(4-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 210.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methyl-1-prop-2-enylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 18713593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).