2-(2-aminoethylamino)-1-pyridin-4-ylethanol

C9H15N3O — CID 21482923

IUPAC2-(2-aminoethylamino)-1-pyridin-4-ylethanol
SMILESNCCNCC(O)c1ccncc1
InChIInChI=1S/C9H15N3O/c10-3-6-12-7-9(13)8-1-4-11-5-2-8/h1-2,4-5,9,12-13H,3,6-7,10H2
InChIKeyMQQRUOSLWOXWPX-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.34
Rot. Bonds5

About 2-(2-aminoethylamino)-1-pyridin-4-ylethanol

2-(2-aminoethylamino)-1-pyridin-4-ylethanol (PubChem CID 21482923) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(2-aminoethylamino)-1-pyridin-4-ylethanol
PubChem CID21482923
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(2-aminoethylamino)-1-pyridin-4-ylethanol
SMILESNCCNCC(O)c1ccncc1
InChIInChI=1S/C9H15N3O/c10-3-6-12-7-9(13)8-1-4-11-5-2-8/h1-2,4-5,9,12-13H,3,6-7,10H2
InChIKeyMQQRUOSLWOXWPX-UHFFFAOYSA-N
XLogP-0.34
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol
CID 110176309
2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol
CID 21482954
1,3-dipyridin-4-ylpropane-1,3-diol
CID 153433085
1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 60909806
(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937560
2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60899811
4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol
CID 67587574
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 82312246

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-1-pyridin-4-ylethanol?
The IUPAC name of 2-(2-aminoethylamino)-1-pyridin-4-ylethanol (CID 21482923) is 2-(2-aminoethylamino)-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-(2-aminoethylamino)-1-pyridin-4-ylethanol?
The canonical SMILES for 2-(2-aminoethylamino)-1-pyridin-4-ylethanol is NCCNCC(O)c1ccncc1.
What is the InChIKey of 2-(2-aminoethylamino)-1-pyridin-4-ylethanol?
The InChIKey is MQQRUOSLWOXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-3-6-12-7-9(13)8-1-4-11-5-2-8/h1-2,4-5,9,12-13H,3,6-7,10H2.
What are the key properties of 2-(2-aminoethylamino)-1-pyridin-4-ylethanol?
2-(2-aminoethylamino)-1-pyridin-4-ylethanol has a molecular weight of 181.24 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-1-pyridin-4-ylethanol is sourced from PubChem (CID 21482923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).