2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride

C9H16Cl2N2O — CID 91647675

IUPAC2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride
SMILESCl.Cl.NCC(CO)Cc1ccncc1
InChIInChI=1S/C9H14N2O.2ClH/c10-6-9(7-12)5-8-1-3-11-4-2-8;;/h1-4,9,12H,5-7,10H2;2*1H
InChIKeyJHYJBJLMHPYBIR-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.03
Rot. Bonds4

About 2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride

2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride (PubChem CID 91647675) has the molecular formula C9H16Cl2N2O and a molecular weight of 239.15 g/mol. Its IUPAC name is 2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride
PubChem CID91647675
Molecular FormulaC9H16Cl2N2O
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC Name2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride
SMILESCl.Cl.NCC(CO)Cc1ccncc1
InChIInChI=1S/C9H14N2O.2ClH/c10-6-9(7-12)5-8-1-3-11-4-2-8;;/h1-4,9,12H,5-7,10H2;2*1H
InChIKeyJHYJBJLMHPYBIR-UHFFFAOYSA-N
XLogP1.03
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride (CID 91647675) is 2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride is Cl.Cl.NCC(CO)Cc1ccncc1.
What is the InChIKey of 2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride?
The InChIKey is JHYJBJLMHPYBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.2ClH/c10-6-9(7-12)5-8-1-3-11-4-2-8;;/h1-4,9,12H,5-7,10H2;2*1H.
What are the key properties of 2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride?
2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol;dihydrochloride is sourced from PubChem (CID 91647675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).