5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine

C13H26N2 — CID 175344960

IUPAC5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine
SMILESC=CCCC1(C)CC(N)CN1C(C)(C)C
InChIInChI=1S/C13H26N2/c1-6-7-8-13(5)9-11(14)10-15(13)12(2,3)4/h6,11H,1,7-10,14H2,2-5H3
InChIKeyGHURISXAIJSCRK-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.54
Rot. Bonds3

About 5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine

5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine (PubChem CID 175344960) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine
PubChem CID175344960
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine
SMILESC=CCCC1(C)CC(N)CN1C(C)(C)C
InChIInChI=1S/C13H26N2/c1-6-7-8-13(5)9-11(14)10-15(13)12(2,3)4/h6,11H,1,7-10,14H2,2-5H3
InChIKeyGHURISXAIJSCRK-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.54
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 5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine?
The IUPAC name of 5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine (CID 175344960) is 5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine.
What is the SMILES notation for 5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine?
The canonical SMILES for 5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine is C=CCCC1(C)CC(N)CN1C(C)(C)C.
What is the InChIKey of 5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine?
The InChIKey is GHURISXAIJSCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-7-8-13(5)9-11(14)10-15(13)12(2,3)4/h6,11H,1,7-10,14H2,2-5H3.
What are the key properties of 5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine?
5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 175344960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).