2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine

C17H27N — CID 116544640

IUPAC2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine
SMILESCCCc1cccc(C2(CC(C)C)CCCN2)c1
InChIInChI=1S/C17H27N/c1-4-7-15-8-5-9-16(12-15)17(13-14(2)3)10-6-11-18-17/h5,8-9,12,14,18H,4,6-7,10-11,13H2,1-3H3
InChIKeyUBWTZYFZYCXZIH-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.26
Rot. Bonds5

About 2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine

2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine (PubChem CID 116544640) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine
PubChem CID116544640
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine
SMILESCCCc1cccc(C2(CC(C)C)CCCN2)c1
InChIInChI=1S/C17H27N/c1-4-7-15-8-5-9-16(12-15)17(13-14(2)3)10-6-11-18-17/h5,8-9,12,14,18H,4,6-7,10-11,13H2,1-3H3
InChIKeyUBWTZYFZYCXZIH-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine?
The IUPAC name of 2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine (CID 116544640) is 2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine.
What is the SMILES notation for 2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine?
The canonical SMILES for 2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine is CCCc1cccc(C2(CC(C)C)CCCN2)c1.
What is the InChIKey of 2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine?
The InChIKey is UBWTZYFZYCXZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-7-15-8-5-9-16(12-15)17(13-14(2)3)10-6-11-18-17/h5,8-9,12,14,18H,4,6-7,10-11,13H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine?
2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine has a molecular weight of 245.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine is sourced from PubChem (CID 116544640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).