3-[1-(methylamino)but-3-enyl]pyridin-4-amine

C10H15N3 — CID 116660648

IUPAC3-[1-(methylamino)but-3-enyl]pyridin-4-amine
SMILESC=CCC(NC)c1cnccc1N
InChIInChI=1S/C10H15N3/c1-3-4-10(12-2)8-7-13-6-5-9(8)11/h3,5-7,10,12H,1,4H2,2H3,(H2,11,13)
InChIKeyYFVVILVUNAWMKR-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.50
Rot. Bonds4

About 3-[1-(methylamino)but-3-enyl]pyridin-4-amine

3-[1-(methylamino)but-3-enyl]pyridin-4-amine (PubChem CID 116660648) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-[1-(methylamino)but-3-enyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[1-(methylamino)but-3-enyl]pyridin-4-amine
PubChem CID116660648
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-[1-(methylamino)but-3-enyl]pyridin-4-amine
SMILESC=CCC(NC)c1cnccc1N
InChIInChI=1S/C10H15N3/c1-3-4-10(12-2)8-7-13-6-5-9(8)11/h3,5-7,10,12H,1,4H2,2H3,(H2,11,13)
InChIKeyYFVVILVUNAWMKR-UHFFFAOYSA-N
XLogP1.50
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.50
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-(ethylamino)but-3-enyl]pyridin-4-amine
CID 116660865
3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine
CID 55293108
1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine
CID 105065296
1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79087902
3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine
CID 103987130
3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine
CID 66065398
3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine
CID 65138823
1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine
CID 130280061
3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine
CID 116720111
1-(4-amino-3-pyridinyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092538
N-methyl-1-pyrimidin-2-ylbut-3-en-1-amine
CID 61380822
3-(1-hydrazinylethyl)pyridin-4-amine
CID 105201253

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)but-3-enyl]pyridin-4-amine?
The IUPAC name of 3-[1-(methylamino)but-3-enyl]pyridin-4-amine (CID 116660648) is 3-[1-(methylamino)but-3-enyl]pyridin-4-amine.
What is the SMILES notation for 3-[1-(methylamino)but-3-enyl]pyridin-4-amine?
The canonical SMILES for 3-[1-(methylamino)but-3-enyl]pyridin-4-amine is C=CCC(NC)c1cnccc1N.
What is the InChIKey of 3-[1-(methylamino)but-3-enyl]pyridin-4-amine?
The InChIKey is YFVVILVUNAWMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-4-10(12-2)8-7-13-6-5-9(8)11/h3,5-7,10,12H,1,4H2,2H3,(H2,11,13).
What are the key properties of 3-[1-(methylamino)but-3-enyl]pyridin-4-amine?
3-[1-(methylamino)but-3-enyl]pyridin-4-amine has a molecular weight of 177.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)but-3-enyl]pyridin-4-amine is sourced from PubChem (CID 116660648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).