1-(butylamino)-2-pyridin-3-ylethenol

C11H16N2O — CID 71416550

IUPAC1-(butylamino)-2-pyridin-3-ylethenol
SMILESCCCCNC(O)=Cc1cccnc1
InChIInChI=1S/C11H16N2O/c1-2-3-7-13-11(14)8-10-5-4-6-12-9-10/h4-6,8-9,13-14H,2-3,7H2,1H3
InChIKeyTYVPFWPHURLFJD-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.33
Rot. Bonds5

About 1-(butylamino)-2-pyridin-3-ylethenol

1-(butylamino)-2-pyridin-3-ylethenol (PubChem CID 71416550) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(butylamino)-2-pyridin-3-ylethenol.

Molecular Properties

Compound Name1-(butylamino)-2-pyridin-3-ylethenol
PubChem CID71416550
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(butylamino)-2-pyridin-3-ylethenol
SMILESCCCCNC(O)=Cc1cccnc1
InChIInChI=1S/C11H16N2O/c1-2-3-7-13-11(14)8-10-5-4-6-12-9-10/h4-6,8-9,13-14H,2-3,7H2,1H3
InChIKeyTYVPFWPHURLFJD-UHFFFAOYSA-N
XLogP2.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(butylamino)-2-phenylethenol
CID 134892949
N-butyl-2-cyano-3-pyridin-3-ylprop-2-enamide
CID 5020774
2-(pyridin-3-ylmethylidene)hexanal
CID 54164984
(E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine
CID 103093541
N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine
CID 54508812
(E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine
CID 177403210
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
(E)-1-pyridin-3-yloct-1-en-3-one
CID 70109374
2-aminoacetic acid;N-methylbutan-1-amine;(E)-3-pyridin-3-ylprop-2-enal
CID 153395781
N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184
N-[(E)-1,2-diphenylethenyl]butan-1-amine
CID 143156717

Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)-2-pyridin-3-ylethenol?
The IUPAC name of 1-(butylamino)-2-pyridin-3-ylethenol (CID 71416550) is 1-(butylamino)-2-pyridin-3-ylethenol.
What is the SMILES notation for 1-(butylamino)-2-pyridin-3-ylethenol?
The canonical SMILES for 1-(butylamino)-2-pyridin-3-ylethenol is CCCCNC(O)=Cc1cccnc1.
What is the InChIKey of 1-(butylamino)-2-pyridin-3-ylethenol?
The InChIKey is TYVPFWPHURLFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-3-7-13-11(14)8-10-5-4-6-12-9-10/h4-6,8-9,13-14H,2-3,7H2,1H3.
What are the key properties of 1-(butylamino)-2-pyridin-3-ylethenol?
1-(butylamino)-2-pyridin-3-ylethenol has a molecular weight of 192.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)-2-pyridin-3-ylethenol is sourced from PubChem (CID 71416550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).