3-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine

C19H35N — CID 91601587

IUPAC3-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine
SMILESCC(C)(C)C1=CCCC(N2CCC(C(C)(C)C)C2)CC1
InChIInChI=1S/C19H35N/c1-18(2,3)15-8-7-9-17(11-10-15)20-13-12-16(14-20)19(4,5)6/h8,16-17H,7,9-14H2,1-6H3
InChIKeyOLTLQCHEMOYYNJ-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.27
Rot. Bonds1

About 3-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine

3-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine (PubChem CID 91601587) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 3-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine
PubChem CID91601587
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name3-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine
SMILESCC(C)(C)C1=CCCC(N2CCC(C(C)(C)C)C2)CC1
InChIInChI=1S/C19H35N/c1-18(2,3)15-8-7-9-17(11-10-15)20-13-12-16(14-20)19(4,5)6/h8,16-17H,7,9-14H2,1-6H3
InChIKeyOLTLQCHEMOYYNJ-UHFFFAOYSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine?
The IUPAC name of 3-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine (CID 91601587) is 3-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine.
What is the SMILES notation for 3-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine?
The canonical SMILES for 3-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine is CC(C)(C)C1=CCCC(N2CCC(C(C)(C)C)C2)CC1.
What is the InChIKey of 3-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine?
The InChIKey is OLTLQCHEMOYYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-18(2,3)15-8-7-9-17(11-10-15)20-13-12-16(14-20)19(4,5)6/h8,16-17H,7,9-14H2,1-6H3.
What are the key properties of 3-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine?
3-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine has a molecular weight of 277.50 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(4-tert-butylcyclohept-4-en-1-yl)pyrrolidine is sourced from PubChem (CID 91601587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).