1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine

C16H26N4O — CID 115939599

IUPAC1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CCC(N3CCOCC3)C2)cn1
InChIInChI=1S/C16H26N4O/c1-2-15(17)16-4-3-13(11-18-16)20-6-5-14(12-20)19-7-9-21-10-8-19/h3-4,11,14-15H,2,5-10,12,17H2,1H3
InChIKeyHKAFXAFXQLKPOR-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.40
Rot. Bonds4

About 1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine

1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine (PubChem CID 115939599) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
PubChem CID115939599
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CCC(N3CCOCC3)C2)cn1
InChIInChI=1S/C16H26N4O/c1-2-15(17)16-4-3-13(11-18-16)20-6-5-14(12-20)19-7-9-21-10-8-19/h3-4,11,14-15H,2,5-10,12,17H2,1H3
InChIKeyHKAFXAFXQLKPOR-UHFFFAOYSA-N
XLogP1.40
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine (CID 115939599) is 1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine is CCC(N)c1ccc(N2CCC(N3CCOCC3)C2)cn1.
What is the InChIKey of 1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine?
The InChIKey is HKAFXAFXQLKPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-15(17)16-4-3-13(11-18-16)20-6-5-14(12-20)19-7-9-21-10-8-19/h3-4,11,14-15H,2,5-10,12,17H2,1H3.
What are the key properties of 1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine?
1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 115939599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).