(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol

C10H16N2O — CID 93082162

IUPAC(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@@H](C)c1cccnc1
InChIInChI=1S/C10H16N2O/c1-8(13)6-12-9(2)10-4-3-5-11-7-10/h3-5,7-9,12-13H,6H2,1-2H3/t8-,9-/m0/s1
InChIKeyQJLXIXDIUMWQAQ-IUCAKERBSA-N
MW180.25 g/mol
LogP1.11
Rot. Bonds4

About (2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol

(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol (PubChem CID 93082162) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
PubChem CID93082162
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@@H](C)c1cccnc1
InChIInChI=1S/C10H16N2O/c1-8(13)6-12-9(2)10-4-3-5-11-7-10/h3-5,7-9,12-13H,6H2,1-2H3/t8-,9-/m0/s1
InChIKeyQJLXIXDIUMWQAQ-IUCAKERBSA-N
XLogP1.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
(1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol
CID 97158238
2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 103258248
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81405230
2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 115623727
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
4-[1-hydroxy-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81403976
2-N,2-N-dimethyl-1-N-(1-pyridin-3-ylethyl)butane-1,2-diamine
CID 115886281
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine
CID 66047112

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol (CID 93082162) is (2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol is C[C@H](O)CN[C@@H](C)c1cccnc1.
What is the InChIKey of (2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol?
The InChIKey is QJLXIXDIUMWQAQ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(13)6-12-9(2)10-4-3-5-11-7-10/h3-5,7-9,12-13H,6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol?
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 93082162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).