3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine

C15H30N2 — CID 79067996

IUPAC3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine
SMILESC=C(CC)CC(N)C(CC)(CC)N1CCCC1
InChIInChI=1S/C15H30N2/c1-5-13(4)12-14(16)15(6-2,7-3)17-10-8-9-11-17/h14H,4-12,16H2,1-3H3
InChIKeyODYUPDUWJZFNKQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.32
Rot. Bonds7

About 3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine

3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine (PubChem CID 79067996) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine.

Molecular Properties

Compound Name3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine
PubChem CID79067996
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine
SMILESC=C(CC)CC(N)C(CC)(CC)N1CCCC1
InChIInChI=1S/C15H30N2/c1-5-13(4)12-14(16)15(6-2,7-3)17-10-8-9-11-17/h14H,4-12,16H2,1-3H3
InChIKeyODYUPDUWJZFNKQ-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
The IUPAC name of 3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine (CID 79067996) is 3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine.
What is the SMILES notation for 3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
The canonical SMILES for 3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine is C=C(CC)CC(N)C(CC)(CC)N1CCCC1.
What is the InChIKey of 3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
The InChIKey is ODYUPDUWJZFNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-13(4)12-14(16)15(6-2,7-3)17-10-8-9-11-17/h14H,4-12,16H2,1-3H3.
What are the key properties of 3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine has a molecular weight of 238.42 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine is sourced from PubChem (CID 79067996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).