N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline

C18H28N2 — CID 63503063

IUPACN-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCN1CCCC1C1CCCC1
InChIInChI=1S/C18H28N2/c1-15-7-2-5-10-17(15)19-12-14-20-13-6-11-18(20)16-8-3-4-9-16/h2,5,7,10,16,18-19H,3-4,6,8-9,11-14H2,1H3
InChIKeyBKQHCBVEEBVZNR-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.06
Rot. Bonds5

About N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline

N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline (PubChem CID 63503063) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline
PubChem CID63503063
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCN1CCCC1C1CCCC1
InChIInChI=1S/C18H28N2/c1-15-7-2-5-10-17(15)19-12-14-20-13-6-11-18(20)16-8-3-4-9-16/h2,5,7,10,16,18-19H,3-4,6,8-9,11-14H2,1H3
InChIKeyBKQHCBVEEBVZNR-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline (CID 63503063) is N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline is Cc1ccccc1NCCN1CCCC1C1CCCC1.
What is the InChIKey of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline?
The InChIKey is BKQHCBVEEBVZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-7-2-5-10-17(15)19-12-14-20-13-6-11-18(20)16-8-3-4-9-16/h2,5,7,10,16,18-19H,3-4,6,8-9,11-14H2,1H3.
What are the key properties of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline?
N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline has a molecular weight of 272.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline is sourced from PubChem (CID 63503063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).