3-ethyl-3-pyrrolidin-1-yloct-7-en-4-amine

C14H28N2 — CID 79067829

IUPAC3-ethyl-3-pyrrolidin-1-yloct-7-en-4-amine
SMILESC=CCCC(N)C(CC)(CC)N1CCCC1
InChIInChI=1S/C14H28N2/c1-4-7-10-13(15)14(5-2,6-3)16-11-8-9-12-16/h4,13H,1,5-12,15H2,2-3H3
InChIKeyHLKYEGVFYNXUIN-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.93
Rot. Bonds7

About 3-ethyl-3-pyrrolidin-1-yloct-7-en-4-amine

3-ethyl-3-pyrrolidin-1-yloct-7-en-4-amine (PubChem CID 79067829) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-ethyl-3-pyrrolidin-1-yloct-7-en-4-amine.

Molecular Properties

Compound Name3-ethyl-3-pyrrolidin-1-yloct-7-en-4-amine
PubChem CID79067829
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-ethyl-3-pyrrolidin-1-yloct-7-en-4-amine
SMILESC=CCCC(N)C(CC)(CC)N1CCCC1
InChIInChI=1S/C14H28N2/c1-4-7-10-13(15)14(5-2,6-3)16-11-8-9-12-16/h4,13H,1,5-12,15H2,2-3H3
InChIKeyHLKYEGVFYNXUIN-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
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 3-ethyl-3-pyrrolidin-1-yloct-7-en-4-amine?
The IUPAC name of 3-ethyl-3-pyrrolidin-1-yloct-7-en-4-amine (CID 79067829) is 3-ethyl-3-pyrrolidin-1-yloct-7-en-4-amine.
What is the SMILES notation for 3-ethyl-3-pyrrolidin-1-yloct-7-en-4-amine?
The canonical SMILES for 3-ethyl-3-pyrrolidin-1-yloct-7-en-4-amine is C=CCCC(N)C(CC)(CC)N1CCCC1.
What is the InChIKey of 3-ethyl-3-pyrrolidin-1-yloct-7-en-4-amine?
The InChIKey is HLKYEGVFYNXUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-7-10-13(15)14(5-2,6-3)16-11-8-9-12-16/h4,13H,1,5-12,15H2,2-3H3.
What are the key properties of 3-ethyl-3-pyrrolidin-1-yloct-7-en-4-amine?
3-ethyl-3-pyrrolidin-1-yloct-7-en-4-amine has a molecular weight of 224.39 g/mol, XLogP of 2.93, 7 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-yloct-7-en-4-amine is sourced from PubChem (CID 79067829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).