6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine

C12H17N3 — CID 164513505

IUPAC6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(C#CCCN(C)C)c1
InChIInChI=1S/C12H17N3/c1-10-8-11(14-12(13)9-10)6-4-5-7-15(2)3/h8-9H,5,7H2,1-3H3,(H2,13,14)
InChIKeySWAXYJVGMJZMLB-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.28
Rot. Bonds2

About 6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine

6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine (PubChem CID 164513505) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine
PubChem CID164513505
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(C#CCCN(C)C)c1
InChIInChI=1S/C12H17N3/c1-10-8-11(14-12(13)9-10)6-4-5-7-15(2)3/h8-9H,5,7H2,1-3H3,(H2,13,14)
InChIKeySWAXYJVGMJZMLB-UHFFFAOYSA-N
XLogP1.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine (CID 164513505) is 6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(C#CCCN(C)C)c1.
What is the InChIKey of 6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine?
The InChIKey is SWAXYJVGMJZMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10-8-11(14-12(13)9-10)6-4-5-7-15(2)3/h8-9H,5,7H2,1-3H3,(H2,13,14).
What are the key properties of 6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine?
6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine has a molecular weight of 203.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)but-1-ynyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 164513505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).