N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine

C16H31N3O — CID 63167933

IUPACN-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H31N3O/c1-14(12-17-15-4-2-3-5-15)19-7-6-16(13-19)18-8-10-20-11-9-18/h14-17H,2-13H2,1H3
InChIKeyVXYXZDNWJRSJLR-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.31
Rot. Bonds5

About N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine

N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine (PubChem CID 63167933) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine
PubChem CID63167933
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H31N3O/c1-14(12-17-15-4-2-3-5-15)19-7-6-16(13-19)18-8-10-20-11-9-18/h14-17H,2-13H2,1H3
InChIKeyVXYXZDNWJRSJLR-UHFFFAOYSA-N
XLogP1.31
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine?
The IUPAC name of N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine (CID 63167933) is N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine?
The canonical SMILES for N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine is CC(CNC1CCCC1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine?
The InChIKey is VXYXZDNWJRSJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-14(12-17-15-4-2-3-5-15)19-7-6-16(13-19)18-8-10-20-11-9-18/h14-17H,2-13H2,1H3.
What are the key properties of N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine?
N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine has a molecular weight of 281.44 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine is sourced from PubChem (CID 63167933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).