2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol

C13H21N3O — CID 104869538

IUPAC2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1ccc([C@@H](N)CC)nc1
InChIInChI=1S/C13H21N3O/c1-3-7-16(8-9-17)11-5-6-13(15-10-11)12(14)4-2/h3,5-6,10,12,17H,1,4,7-9,14H2,2H3/t12-/m0/s1
InChIKeyNZBFVOUILXGITF-LBPRGKRZSA-N
MW235.33 g/mol
LogP1.48
Rot. Bonds7

About 2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol

2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol (PubChem CID 104869538) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol
PubChem CID104869538
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1ccc([C@@H](N)CC)nc1
InChIInChI=1S/C13H21N3O/c1-3-7-16(8-9-17)11-5-6-13(15-10-11)12(14)4-2/h3,5-6,10,12,17H,1,4,7-9,14H2,2H3/t12-/m0/s1
InChIKeyNZBFVOUILXGITF-LBPRGKRZSA-N
XLogP1.48
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(1-aminopropyl)-N,N-diethylpyridin-3-amine
CID 112584036
6-[(1R)-1-aminopropyl]-N,N-dibutylpyridin-3-amine
CID 103936956
6-(1-aminopropyl)-N,N-bis(2-methylpropyl)pyridin-3-amine
CID 112584255
6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine
CID 112584559
5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile
CID 115744697
1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol
CID 114066920
1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585320
6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
CID 112584549
6-[(1R)-1-aminopropyl]-N-(2-ethoxyethyl)-N-ethylpyridin-3-amine
CID 113355135
6-[(1S)-1-aminopropyl]-N-methyl-N-propylpyridin-3-amine
CID 103936975
6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 112584364
6-(1-aminopropyl)-N-ethyl-N-phenylpyridin-3-amine
CID 112584084

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol?
The IUPAC name of 2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol (CID 104869538) is 2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol is C=CCN(CCO)c1ccc([C@@H](N)CC)nc1.
What is the InChIKey of 2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol?
The InChIKey is NZBFVOUILXGITF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-7-16(8-9-17)11-5-6-13(15-10-11)12(14)4-2/h3,5-6,10,12,17H,1,4,7-9,14H2,2H3/t12-/m0/s1.
What are the key properties of 2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol?
2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol is sourced from PubChem (CID 104869538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).