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

C10H14N2 — CID 130506037

IUPAC1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine
SMILESC=CC(N)c1cc(C)cc(C)n1
InChIInChI=1S/C10H14N2/c1-4-9(11)10-6-7(2)5-8(3)12-10/h4-6,9H,1,11H2,2-3H3
InChIKeyFIWYKJAFZJARNB-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.88
Rot. Bonds2

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

1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine (PubChem CID 130506037) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine
PubChem CID130506037
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine
SMILESC=CC(N)c1cc(C)cc(C)n1
InChIInChI=1S/C10H14N2/c1-4-9(11)10-6-7(2)5-8(3)12-10/h4-6,9H,1,11H2,2-3H3
InChIKeyFIWYKJAFZJARNB-UHFFFAOYSA-N
XLogP1.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine (CID 130506037) is 1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine is C=CC(N)c1cc(C)cc(C)n1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine?
The InChIKey is FIWYKJAFZJARNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-9(11)10-6-7(2)5-8(3)12-10/h4-6,9H,1,11H2,2-3H3.
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine?
1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine has a molecular weight of 162.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 130506037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).