3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine

C15H30N2 — CID 79068388

IUPAC3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine
SMILESC=CCCCC(N)C(CC)(CC)N1CCCC1
InChIInChI=1S/C15H30N2/c1-4-7-8-11-14(16)15(5-2,6-3)17-12-9-10-13-17/h4,14H,1,5-13,16H2,2-3H3
InChIKeyQWQIORKVNXKGLY-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.32
Rot. Bonds8

About 3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine

3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine (PubChem CID 79068388) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine.

Molecular Properties

Compound Name3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine
PubChem CID79068388
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine
SMILESC=CCCCC(N)C(CC)(CC)N1CCCC1
InChIInChI=1S/C15H30N2/c1-4-7-8-11-14(16)15(5-2,6-3)17-12-9-10-13-17/h4,14H,1,5-13,16H2,2-3H3
InChIKeyQWQIORKVNXKGLY-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-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 3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine?
The IUPAC name of 3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine (CID 79068388) is 3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine.
What is the SMILES notation for 3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine?
The canonical SMILES for 3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine is C=CCCCC(N)C(CC)(CC)N1CCCC1.
What is the InChIKey of 3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine?
The InChIKey is QWQIORKVNXKGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-7-8-11-14(16)15(5-2,6-3)17-12-9-10-13-17/h4,14H,1,5-13,16H2,2-3H3.
What are the key properties of 3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine?
3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine has a molecular weight of 238.42 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine is sourced from PubChem (CID 79068388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).