N-[2-(2-cyclopentylpyrrolidin-1-yl)propyl]-2-methylbutan-2-amine

C17H34N2 — CID 55087365

IUPACN-[2-(2-cyclopentylpyrrolidin-1-yl)propyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCC(C)N1CCCC1C1CCCC1
InChIInChI=1S/C17H34N2/c1-5-17(3,4)18-13-14(2)19-12-8-11-16(19)15-9-6-7-10-15/h14-16,18H,5-13H2,1-4H3
InChIKeyKWKSPWDCMXYSFM-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds6

About N-[2-(2-cyclopentylpyrrolidin-1-yl)propyl]-2-methylbutan-2-amine

N-[2-(2-cyclopentylpyrrolidin-1-yl)propyl]-2-methylbutan-2-amine (PubChem CID 55087365) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[2-(2-cyclopentylpyrrolidin-1-yl)propyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(2-cyclopentylpyrrolidin-1-yl)propyl]-2-methylbutan-2-amine
PubChem CID55087365
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[2-(2-cyclopentylpyrrolidin-1-yl)propyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCC(C)N1CCCC1C1CCCC1
InChIInChI=1S/C17H34N2/c1-5-17(3,4)18-13-14(2)19-12-8-11-16(19)15-9-6-7-10-15/h14-16,18H,5-13H2,1-4H3
InChIKeyKWKSPWDCMXYSFM-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
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)propyl]-2-methylbutan-2-amine?
The IUPAC name of N-[2-(2-cyclopentylpyrrolidin-1-yl)propyl]-2-methylbutan-2-amine (CID 55087365) is N-[2-(2-cyclopentylpyrrolidin-1-yl)propyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[2-(2-cyclopentylpyrrolidin-1-yl)propyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[2-(2-cyclopentylpyrrolidin-1-yl)propyl]-2-methylbutan-2-amine is CCC(C)(C)NCC(C)N1CCCC1C1CCCC1.
What is the InChIKey of N-[2-(2-cyclopentylpyrrolidin-1-yl)propyl]-2-methylbutan-2-amine?
The InChIKey is KWKSPWDCMXYSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-17(3,4)18-13-14(2)19-12-8-11-16(19)15-9-6-7-10-15/h14-16,18H,5-13H2,1-4H3.
What are the key properties of N-[2-(2-cyclopentylpyrrolidin-1-yl)propyl]-2-methylbutan-2-amine?
N-[2-(2-cyclopentylpyrrolidin-1-yl)propyl]-2-methylbutan-2-amine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 6 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)propyl]-2-methylbutan-2-amine is sourced from PubChem (CID 55087365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).