ethane;3-ethynyl-5-methylpyridin-4-amine

C10H14N2 — CID 145443442

IUPACethane;3-ethynyl-5-methylpyridin-4-amine
SMILESC#Cc1cncc(C)c1N.CC
InChIInChI=1S/C8H8N2.C2H6/c1-3-7-5-10-4-6(2)8(7)9;1-2/h1,4-5H,2H3,(H2,9,10);1-2H3
InChIKeyLFDHJRHBZYKYSL-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.98
Rot. Bonds

About ethane;3-ethynyl-5-methylpyridin-4-amine

ethane;3-ethynyl-5-methylpyridin-4-amine (PubChem CID 145443442) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is ethane;3-ethynyl-5-methylpyridin-4-amine.

Molecular Properties

Compound Nameethane;3-ethynyl-5-methylpyridin-4-amine
PubChem CID145443442
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Nameethane;3-ethynyl-5-methylpyridin-4-amine
SMILESC#Cc1cncc(C)c1N.CC
InChIInChI=1S/C8H8N2.C2H6/c1-3-7-5-10-4-6(2)8(7)9;1-2/h1,4-5H,2H3,(H2,9,10);1-2H3
InChIKeyLFDHJRHBZYKYSL-UHFFFAOYSA-N
XLogP1.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.98
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 ethane;3-ethynyl-5-methylpyridin-4-amine?
The IUPAC name of ethane;3-ethynyl-5-methylpyridin-4-amine (CID 145443442) is ethane;3-ethynyl-5-methylpyridin-4-amine.
What is the SMILES notation for ethane;3-ethynyl-5-methylpyridin-4-amine?
The canonical SMILES for ethane;3-ethynyl-5-methylpyridin-4-amine is C#Cc1cncc(C)c1N.CC.
What is the InChIKey of ethane;3-ethynyl-5-methylpyridin-4-amine?
The InChIKey is LFDHJRHBZYKYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C2H6/c1-3-7-5-10-4-6(2)8(7)9;1-2/h1,4-5H,2H3,(H2,9,10);1-2H3.
What are the key properties of ethane;3-ethynyl-5-methylpyridin-4-amine?
ethane;3-ethynyl-5-methylpyridin-4-amine has a molecular weight of 162.24 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethynyl-5-methylpyridin-4-amine is sourced from PubChem (CID 145443442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).