2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol

C11H19N3O — CID 104552403

IUPAC2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol
SMILESCC(N)c1ccc(N(C)C(C)CO)nc1
InChIInChI=1S/C11H19N3O/c1-8(7-15)14(3)11-5-4-10(6-13-11)9(2)12/h4-6,8-9,15H,7,12H2,1-3H3
InChIKeyHBXJBNUQTDWVEA-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.92
Rot. Bonds4

About 2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol

2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol (PubChem CID 104552403) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol
PubChem CID104552403
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol
SMILESCC(N)c1ccc(N(C)C(C)CO)nc1
InChIInChI=1S/C11H19N3O/c1-8(7-15)14(3)11-5-4-10(6-13-11)9(2)12/h4-6,8-9,15H,7,12H2,1-3H3
InChIKeyHBXJBNUQTDWVEA-UHFFFAOYSA-N
XLogP0.92
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol (CID 104552403) is 2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol is CC(N)c1ccc(N(C)C(C)CO)nc1.
What is the InChIKey of 2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol?
The InChIKey is HBXJBNUQTDWVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(7-15)14(3)11-5-4-10(6-13-11)9(2)12/h4-6,8-9,15H,7,12H2,1-3H3.
What are the key properties of 2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol?
2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol is sourced from PubChem (CID 104552403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).