3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine

C10H12N2 — CID 130507657

IUPAC3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine
SMILESCc1cc(C#CCN)cc(C)n1
InChIInChI=1S/C10H12N2/c1-8-6-10(4-3-5-11)7-9(2)12-8/h6-7H,5,11H2,1-2H3
InChIKeyGUDMESMGKNBTGS-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.01
Rot. Bonds

About 3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine

3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine (PubChem CID 130507657) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine
PubChem CID130507657
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine
SMILESCc1cc(C#CCN)cc(C)n1
InChIInChI=1S/C10H12N2/c1-8-6-10(4-3-5-11)7-9(2)12-8/h6-7H,5,11H2,1-2H3
InChIKeyGUDMESMGKNBTGS-UHFFFAOYSA-N
XLogP1.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.01
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 3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine?
The IUPAC name of 3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine (CID 130507657) is 3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine?
The canonical SMILES for 3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine is Cc1cc(C#CCN)cc(C)n1.
What is the InChIKey of 3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine?
The InChIKey is GUDMESMGKNBTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-6-10(4-3-5-11)7-9(2)12-8/h6-7H,5,11H2,1-2H3.
What are the key properties of 3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine?
3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine has a molecular weight of 160.22 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine is sourced from PubChem (CID 130507657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).