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

C10H14N2 — CID 142651018

IUPAC4-(3-methyl-2H-pyridin-3-yl)but-3-yn-1-amine
SMILESCC1(C#CCCN)C=CC=NC1
InChIInChI=1S/C10H14N2/c1-10(5-2-3-7-11)6-4-8-12-9-10/h4,6,8H,3,7,9,11H2,1H3
InChIKeyLKVBKCBFUPYEEC-UHFFFAOYSA-N
MW162.24 g/mol
LogP0.99
Rot. Bonds1

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

4-(3-methyl-2H-pyridin-3-yl)but-3-yn-1-amine (PubChem CID 142651018) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-(3-methyl-2H-pyridin-3-yl)but-3-yn-1-amine.

Molecular Properties

Compound Name4-(3-methyl-2H-pyridin-3-yl)but-3-yn-1-amine
PubChem CID142651018
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-(3-methyl-2H-pyridin-3-yl)but-3-yn-1-amine
SMILESCC1(C#CCCN)C=CC=NC1
InChIInChI=1S/C10H14N2/c1-10(5-2-3-7-11)6-4-8-12-9-10/h4,6,8H,3,7,9,11H2,1H3
InChIKeyLKVBKCBFUPYEEC-UHFFFAOYSA-N
XLogP0.99
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2H-pyridin-3-yl)but-3-yn-1-amine?
The IUPAC name of 4-(3-methyl-2H-pyridin-3-yl)but-3-yn-1-amine (CID 142651018) is 4-(3-methyl-2H-pyridin-3-yl)but-3-yn-1-amine.
What is the SMILES notation for 4-(3-methyl-2H-pyridin-3-yl)but-3-yn-1-amine?
The canonical SMILES for 4-(3-methyl-2H-pyridin-3-yl)but-3-yn-1-amine is CC1(C#CCCN)C=CC=NC1.
What is the InChIKey of 4-(3-methyl-2H-pyridin-3-yl)but-3-yn-1-amine?
The InChIKey is LKVBKCBFUPYEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-10(5-2-3-7-11)6-4-8-12-9-10/h4,6,8H,3,7,9,11H2,1H3.
What are the key properties of 4-(3-methyl-2H-pyridin-3-yl)but-3-yn-1-amine?
4-(3-methyl-2H-pyridin-3-yl)but-3-yn-1-amine has a molecular weight of 162.24 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2H-pyridin-3-yl)but-3-yn-1-amine is sourced from PubChem (CID 142651018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).