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

C11H17N3 — CID 116660865

IUPAC3-[1-(ethylamino)but-3-enyl]pyridin-4-amine
SMILESC=CCC(NCC)c1cnccc1N
InChIInChI=1S/C11H17N3/c1-3-5-11(14-4-2)9-8-13-7-6-10(9)12/h3,6-8,11,14H,1,4-5H2,2H3,(H2,12,13)
InChIKeyIZVHDVUYYDRCEO-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.89
Rot. Bonds5

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

3-[1-(ethylamino)but-3-enyl]pyridin-4-amine (PubChem CID 116660865) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-[1-(ethylamino)but-3-enyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[1-(ethylamino)but-3-enyl]pyridin-4-amine
PubChem CID116660865
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-[1-(ethylamino)but-3-enyl]pyridin-4-amine
SMILESC=CCC(NCC)c1cnccc1N
InChIInChI=1S/C11H17N3/c1-3-5-11(14-4-2)9-8-13-7-6-10(9)12/h3,6-8,11,14H,1,4-5H2,2H3,(H2,12,13)
InChIKeyIZVHDVUYYDRCEO-UHFFFAOYSA-N
XLogP1.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.89
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-(methylamino)but-3-enyl]pyridin-4-amine
CID 116660648
1-(4-amino-3-pyridinyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092538
3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine
CID 55293108
N-ethyl-1-isoquinolin-4-ylbut-3-en-1-amine
CID 116660847
3-[1-(ethylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine
CID 103987393
N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine
CID 63990208
3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine
CID 103475792
3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine
CID 116726937
3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine
CID 106815087
N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108416
1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79087902
4-[1-(4-amino-3-pyridinyl)propylamino]phenol
CID 22164908

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)but-3-enyl]pyridin-4-amine?
The IUPAC name of 3-[1-(ethylamino)but-3-enyl]pyridin-4-amine (CID 116660865) is 3-[1-(ethylamino)but-3-enyl]pyridin-4-amine.
What is the SMILES notation for 3-[1-(ethylamino)but-3-enyl]pyridin-4-amine?
The canonical SMILES for 3-[1-(ethylamino)but-3-enyl]pyridin-4-amine is C=CCC(NCC)c1cnccc1N.
What is the InChIKey of 3-[1-(ethylamino)but-3-enyl]pyridin-4-amine?
The InChIKey is IZVHDVUYYDRCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-5-11(14-4-2)9-8-13-7-6-10(9)12/h3,6-8,11,14H,1,4-5H2,2H3,(H2,12,13).
What are the key properties of 3-[1-(ethylamino)but-3-enyl]pyridin-4-amine?
3-[1-(ethylamino)but-3-enyl]pyridin-4-amine has a molecular weight of 191.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)but-3-enyl]pyridin-4-amine is sourced from PubChem (CID 116660865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).