N-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine

C13H26N2 — CID 79180457

IUPACN-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine
SMILESC=C(C)C(NCC)C(C)(C)N1CCCC1
InChIInChI=1S/C13H26N2/c1-6-14-12(11(2)3)13(4,5)15-9-7-8-10-15/h12,14H,2,6-10H2,1,3-5H3
InChIKeyGLSSYVISEPXJSE-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.41
Rot. Bonds5

About N-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine

N-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine (PubChem CID 79180457) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine
PubChem CID79180457
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine
SMILESC=C(C)C(NCC)C(C)(C)N1CCCC1
InChIInChI=1S/C13H26N2/c1-6-14-12(11(2)3)13(4,5)15-9-7-8-10-15/h12,14H,2,6-10H2,1,3-5H3
InChIKeyGLSSYVISEPXJSE-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
The IUPAC name of N-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine (CID 79180457) is N-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine.
What is the SMILES notation for N-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
The canonical SMILES for N-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine is C=C(C)C(NCC)C(C)(C)N1CCCC1.
What is the InChIKey of N-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
The InChIKey is GLSSYVISEPXJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-14-12(11(2)3)13(4,5)15-9-7-8-10-15/h12,14H,2,6-10H2,1,3-5H3.
What are the key properties of N-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
N-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-amine is sourced from PubChem (CID 79180457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).