2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine

C18H27N — CID 161368093

IUPAC2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine
SMILESCC(C)(C)C1CCCN1Cc1ccccc1C1CC1
InChIInChI=1S/C18H27N/c1-18(2,3)17-9-6-12-19(17)13-15-7-4-5-8-16(15)14-10-11-14/h4-5,7-8,14,17H,6,9-13H2,1-3H3
InChIKeyHNWGDIZGKIDTNB-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.57
Rot. Bonds3

About 2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine

2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine (PubChem CID 161368093) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine
PubChem CID161368093
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine
SMILESCC(C)(C)C1CCCN1Cc1ccccc1C1CC1
InChIInChI=1S/C18H27N/c1-18(2,3)17-9-6-12-19(17)13-15-7-4-5-8-16(15)14-10-11-14/h4-5,7-8,14,17H,6,9-13H2,1-3H3
InChIKeyHNWGDIZGKIDTNB-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine (CID 161368093) is 2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine is CC(C)(C)C1CCCN1Cc1ccccc1C1CC1.
What is the InChIKey of 2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine?
The InChIKey is HNWGDIZGKIDTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-18(2,3)17-9-6-12-19(17)13-15-7-4-5-8-16(15)14-10-11-14/h4-5,7-8,14,17H,6,9-13H2,1-3H3.
What are the key properties of 2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine?
2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine has a molecular weight of 257.42 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(2-cyclopropylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 161368093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).