1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine

C20H37N — CID 166922006

IUPAC1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine
SMILESC=C(CC(C)CC1CCC(C)(C)C1(C)C)C1CCCN1C
InChIInChI=1S/C20H37N/c1-15(13-16(2)18-9-8-12-21(18)7)14-17-10-11-19(3,4)20(17,5)6/h15,17-18H,2,8-14H2,1,3-7H3
InChIKeyRRUQJPOVFBOAAR-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.52
Rot. Bonds5

About 1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine

1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine (PubChem CID 166922006) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine
PubChem CID166922006
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine
SMILESC=C(CC(C)CC1CCC(C)(C)C1(C)C)C1CCCN1C
InChIInChI=1S/C20H37N/c1-15(13-16(2)18-9-8-12-21(18)7)14-17-10-11-19(3,4)20(17,5)6/h15,17-18H,2,8-14H2,1,3-7H3
InChIKeyRRUQJPOVFBOAAR-UHFFFAOYSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.52
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 1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine?
The IUPAC name of 1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine (CID 166922006) is 1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine.
What is the SMILES notation for 1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine?
The canonical SMILES for 1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine is C=C(CC(C)CC1CCC(C)(C)C1(C)C)C1CCCN1C.
What is the InChIKey of 1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine?
The InChIKey is RRUQJPOVFBOAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-15(13-16(2)18-9-8-12-21(18)7)14-17-10-11-19(3,4)20(17,5)6/h15,17-18H,2,8-14H2,1,3-7H3.
What are the key properties of 1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine?
1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine has a molecular weight of 291.52 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine is sourced from PubChem (CID 166922006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).