4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine

C10H16N2 — CID 57064971

IUPAC4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCN1C=C(C=CCCN)C=CC1
InChIInChI=1S/C10H16N2/c1-12-8-4-6-10(9-12)5-2-3-7-11/h2,4-6,9H,3,7-8,11H2,1H3
InChIKeyPGQHEYBJHVXPJZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.28
Rot. Bonds3

About 4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine

4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine (PubChem CID 57064971) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
PubChem CID57064971
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCN1C=C(C=CCCN)C=CC1
InChIInChI=1S/C10H16N2/c1-12-8-4-6-10(9-12)5-2-3-7-11/h2,4-6,9H,3,7-8,11H2,1H3
InChIKeyPGQHEYBJHVXPJZ-UHFFFAOYSA-N
XLogP1.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The IUPAC name of 4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine (CID 57064971) is 4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine.
What is the SMILES notation for 4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The canonical SMILES for 4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine is CN1C=C(C=CCCN)C=CC1.
What is the InChIKey of 4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The InChIKey is PGQHEYBJHVXPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12-8-4-6-10(9-12)5-2-3-7-11/h2,4-6,9H,3,7-8,11H2,1H3.
What are the key properties of 4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine is sourced from PubChem (CID 57064971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).