1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine

C15H28N2 — CID 79842524

IUPAC1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine
SMILESNC1(CCN2CCCC2C2CCCC2)CCC1
InChIInChI=1S/C15H28N2/c16-15(8-4-9-15)10-12-17-11-3-7-14(17)13-5-1-2-6-13/h13-14H,1-12,16H2
InChIKeyQDQKXYYVLMLVMG-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.91
Rot. Bonds4

About 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine

1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine (PubChem CID 79842524) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine
PubChem CID79842524
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine
SMILESNC1(CCN2CCCC2C2CCCC2)CCC1
InChIInChI=1S/C15H28N2/c16-15(8-4-9-15)10-12-17-11-3-7-14(17)13-5-1-2-6-13/h13-14H,1-12,16H2
InChIKeyQDQKXYYVLMLVMG-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine (CID 79842524) is 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine is NC1(CCN2CCCC2C2CCCC2)CCC1.
What is the InChIKey of 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine?
The InChIKey is QDQKXYYVLMLVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c16-15(8-4-9-15)10-12-17-11-3-7-14(17)13-5-1-2-6-13/h13-14H,1-12,16H2.
What are the key properties of 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine?
1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79842524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).