3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol

C13H23N3O — CID 83122766

IUPAC3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol
SMILESCC(N)c1ccc(N(CCCO)C(C)C)cn1
InChIInChI=1S/C13H23N3O/c1-10(2)16(7-4-8-17)12-5-6-13(11(3)14)15-9-12/h5-6,9-11,17H,4,7-8,14H2,1-3H3
InChIKeyVUQIEWZPNGJYSG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.70
Rot. Bonds6

About 3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol

3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol (PubChem CID 83122766) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol
PubChem CID83122766
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol
SMILESCC(N)c1ccc(N(CCCO)C(C)C)cn1
InChIInChI=1S/C13H23N3O/c1-10(2)16(7-4-8-17)12-5-6-13(11(3)14)15-9-12/h5-6,9-11,17H,4,7-8,14H2,1-3H3
InChIKeyVUQIEWZPNGJYSG-UHFFFAOYSA-N
XLogP1.70
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol (CID 83122766) is 3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol is CC(N)c1ccc(N(CCCO)C(C)C)cn1.
What is the InChIKey of 3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol?
The InChIKey is VUQIEWZPNGJYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)16(7-4-8-17)12-5-6-13(11(3)14)15-9-12/h5-6,9-11,17H,4,7-8,14H2,1-3H3.
What are the key properties of 3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol?
3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 83122766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).