(E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine

C10H14N2 — CID 5310967

IUPAC(E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine
SMILESCNCC/C=C/c1cccnc1
InChIInChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
InChIKeyJUOSGGQXEBBCJB-GORDUTHDSA-N
MW162.24 g/mol
LogP1.70
Rot. Bonds4

About (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine

(E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine (PubChem CID 5310967) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine
PubChem CID5310967
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine
SMILESCNCC/C=C/c1cccnc1
InChIInChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
InChIKeyJUOSGGQXEBBCJB-GORDUTHDSA-N
XLogP1.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine?
The IUPAC name of (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine (CID 5310967) is (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine.
What is the SMILES notation for (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine?
The canonical SMILES for (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine is CNCC/C=C/c1cccnc1.
What is the InChIKey of (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine?
The InChIKey is JUOSGGQXEBBCJB-GORDUTHDSA-N. The full InChI is InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+.
What are the key properties of (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine?
(E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine has a molecular weight of 162.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine is sourced from PubChem (CID 5310967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).