3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine

C10H15N3 — CID 55291746

IUPAC3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine
SMILESC=CCC(N)c1cc(C)cnc1N
InChIInChI=1S/C10H15N3/c1-3-4-9(11)8-5-7(2)6-13-10(8)12/h3,5-6,9H,1,4,11H2,2H3,(H2,12,13)
InChIKeySAUUOKIDELQCHH-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.55
Rot. Bonds3

About 3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine

3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine (PubChem CID 55291746) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine
PubChem CID55291746
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine
SMILESC=CCC(N)c1cc(C)cnc1N
InChIInChI=1S/C10H15N3/c1-3-4-9(11)8-5-7(2)6-13-10(8)12/h3,5-6,9H,1,4,11H2,2H3,(H2,12,13)
InChIKeySAUUOKIDELQCHH-UHFFFAOYSA-N
XLogP1.55
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine
CID 55291745
3-(1-amino-2-cyclopropylethyl)-5-methylpyridin-2-amine
CID 55295743
3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine
CID 65138767
2-[(1R)-1-aminobut-3-enyl]-4-methylphenol;hydrochloride
CID 171202308
3-[1-amino-2-(4-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
CID 66073260
3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine
CID 116720727
5-methyl-3-pentan-2-ylpyridin-2-amine
CID 107887874
(1S)-1-(2-chloro-5-methyl-3-pyridinyl)but-3-en-1-ol
CID 130635000
1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol
CID 103452733
3-(1-hydrazinylpropyl)-5-methylpyridin-2-amine
CID 105201163
1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine
CID 105108352
3-(1-amino-2-methoxy-2-methylpropyl)-5-methylpyridin-2-amine
CID 79198235

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine (CID 55291746) is 3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine is C=CCC(N)c1cc(C)cnc1N.
What is the InChIKey of 3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine?
The InChIKey is SAUUOKIDELQCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-4-9(11)8-5-7(2)6-13-10(8)12/h3,5-6,9H,1,4,11H2,2H3,(H2,12,13).
What are the key properties of 3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine?
3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine has a molecular weight of 177.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 55291746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).