2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine

C17H27N — CID 114201132

IUPAC2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine
SMILESCC(C)CC(C)C1CCNC1Cc1ccccc1
InChIInChI=1S/C17H27N/c1-13(2)11-14(3)16-9-10-18-17(16)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3
InChIKeyZVTOTHJKJNUXPY-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.89
Rot. Bonds5

About 2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine

2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine (PubChem CID 114201132) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine
PubChem CID114201132
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine
SMILESCC(C)CC(C)C1CCNC1Cc1ccccc1
InChIInChI=1S/C17H27N/c1-13(2)11-14(3)16-9-10-18-17(16)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3
InChIKeyZVTOTHJKJNUXPY-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 4543797
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CID 101397684
2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine
CID 79971324
3-benzyl-4-butan-2-ylpiperidine
CID 79320392
[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
CID 130754239
2-benzylpiperidin-3-ol;hydrochloride
CID 115036439
(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089
2-[(4-methoxyphenyl)methyl]-3-phenylmethoxypiperazine
CID 141061744
2-benzyl-3-(3-chloro-4-fluorophenyl)pyrrolidine
CID 81165823
2-benzyl-3-(3-methoxyphenyl)pyrrolidine
CID 62720607
4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole
CID 103570445

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine?
The IUPAC name of 2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine (CID 114201132) is 2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine.
What is the SMILES notation for 2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine?
The canonical SMILES for 2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine is CC(C)CC(C)C1CCNC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine?
The InChIKey is ZVTOTHJKJNUXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)11-14(3)16-9-10-18-17(16)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3.
What are the key properties of 2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine?
2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine has a molecular weight of 245.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine is sourced from PubChem (CID 114201132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).