3-(1-pyridin-2-ylethylamino)propan-1-ol

C10H16N2O — CID 2772086

IUPAC3-(1-pyridin-2-ylethylamino)propan-1-ol
SMILESCC(NCCCO)c1ccccn1
InChIInChI=1S/C10H16N2O/c1-9(11-7-4-8-13)10-5-2-3-6-12-10/h2-3,5-6,9,11,13H,4,7-8H2,1H3
InChIKeyVTPSDNLWUCEVFT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.11
Rot. Bonds5

About 3-(1-pyridin-2-ylethylamino)propan-1-ol

3-(1-pyridin-2-ylethylamino)propan-1-ol (PubChem CID 2772086) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(1-pyridin-2-ylethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(1-pyridin-2-ylethylamino)propan-1-ol
PubChem CID2772086
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(1-pyridin-2-ylethylamino)propan-1-ol
SMILESCC(NCCCO)c1ccccn1
InChIInChI=1S/C10H16N2O/c1-9(11-7-4-8-13)10-5-2-3-6-12-10/h2-3,5-6,9,11,13H,4,7-8H2,1H3
InChIKeyVTPSDNLWUCEVFT-UHFFFAOYSA-N
XLogP1.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine
CID 113343834
N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine
CID 115872152
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 104647537
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
3-(2-methoxyethoxy)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 28720883
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
methyl 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoate
CID 81407588
2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104860444

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-2-ylethylamino)propan-1-ol?
The IUPAC name of 3-(1-pyridin-2-ylethylamino)propan-1-ol (CID 2772086) is 3-(1-pyridin-2-ylethylamino)propan-1-ol.
What is the SMILES notation for 3-(1-pyridin-2-ylethylamino)propan-1-ol?
The canonical SMILES for 3-(1-pyridin-2-ylethylamino)propan-1-ol is CC(NCCCO)c1ccccn1.
What is the InChIKey of 3-(1-pyridin-2-ylethylamino)propan-1-ol?
The InChIKey is VTPSDNLWUCEVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9(11-7-4-8-13)10-5-2-3-6-12-10/h2-3,5-6,9,11,13H,4,7-8H2,1H3.
What are the key properties of 3-(1-pyridin-2-ylethylamino)propan-1-ol?
3-(1-pyridin-2-ylethylamino)propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-2-ylethylamino)propan-1-ol is sourced from PubChem (CID 2772086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).