1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine

C13H26N2O — CID 81101158

IUPAC1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)CN1CCCC1C1CCCC1
InChIInChI=1S/C13H26N2O/c1-16-10-12(14)9-15-8-4-7-13(15)11-5-2-3-6-11/h11-13H,2-10,14H2,1H3
InChIKeyNSEYLOSTZXHJBI-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds5

About 1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine

1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine (PubChem CID 81101158) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine
PubChem CID81101158
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)CN1CCCC1C1CCCC1
InChIInChI=1S/C13H26N2O/c1-16-10-12(14)9-15-8-4-7-13(15)11-5-2-3-6-11/h11-13H,2-10,14H2,1H3
InChIKeyNSEYLOSTZXHJBI-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine?
The IUPAC name of 1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine (CID 81101158) is 1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine is COCC(N)CN1CCCC1C1CCCC1.
What is the InChIKey of 1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine?
The InChIKey is NSEYLOSTZXHJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-16-10-12(14)9-15-8-4-7-13(15)11-5-2-3-6-11/h11-13H,2-10,14H2,1H3.
What are the key properties of 1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine?
1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine is sourced from PubChem (CID 81101158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).