2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol

C9H15N3O — CID 165405702

IUPAC2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol
SMILESC[C@@H](NCCO)c1cccnc1N
InChIInChI=1S/C9H15N3O/c1-7(11-5-6-13)8-3-2-4-12-9(8)10/h2-4,7,11,13H,5-6H2,1H3,(H2,10,12)/t7-/m1/s1
InChIKeyBISPAZUFFBAILI-SSDOTTSWSA-N
MW181.24 g/mol
LogP0.31
Rot. Bonds4

About 2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol

2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol (PubChem CID 165405702) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol
PubChem CID165405702
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol
SMILESC[C@@H](NCCO)c1cccnc1N
InChIInChI=1S/C9H15N3O/c1-7(11-5-6-13)8-3-2-4-12-9(8)10/h2-4,7,11,13H,5-6H2,1H3,(H2,10,12)/t7-/m1/s1
InChIKeyBISPAZUFFBAILI-SSDOTTSWSA-N
XLogP0.31
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997
(1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol
CID 125425283
(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
CID 171211346
(1R)-1-amino-1-(2-amino-3-pyridinyl)propan-2-ol
CID 130961552
(4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol
CID 171230946
3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine
CID 176663633
1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889665
2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol
CID 165405809
3-[(1R)-1-amino-4-methylpentyl]pyridin-2-amine
CID 171211340
2-[(2-amino-3-pyridinyl)methylamino]ethanol
CID 82668213
3-(1-hydrazinyl-4-methylpentyl)pyridin-2-amine
CID 105207559
3-[(2-amino-3-pyridinyl)amino]butan-1-ol
CID 104540669

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol?
The IUPAC name of 2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol (CID 165405702) is 2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol?
The canonical SMILES for 2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol is C[C@@H](NCCO)c1cccnc1N.
What is the InChIKey of 2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol?
The InChIKey is BISPAZUFFBAILI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(11-5-6-13)8-3-2-4-12-9(8)10/h2-4,7,11,13H,5-6H2,1H3,(H2,10,12)/t7-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol?
2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol has a molecular weight of 181.24 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol is sourced from PubChem (CID 165405702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).