1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine

C15H24N2 — CID 170078991

IUPAC1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine
SMILESC=C(NC)c1nc(C)c(C)c(C)c1C(C)(C)C
InChIInChI=1S/C15H24N2/c1-9-10(2)13(15(5,6)7)14(12(4)16-8)17-11(9)3/h16H,4H2,1-3,5-8H3
InChIKeyXXBCYLLDSKJQBU-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.49
Rot. Bonds2

About 1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine

1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine (PubChem CID 170078991) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine.

Molecular Properties

Compound Name1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine
PubChem CID170078991
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine
SMILESC=C(NC)c1nc(C)c(C)c(C)c1C(C)(C)C
InChIInChI=1S/C15H24N2/c1-9-10(2)13(15(5,6)7)14(12(4)16-8)17-11(9)3/h16H,4H2,1-3,5-8H3
InChIKeyXXBCYLLDSKJQBU-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine?
The IUPAC name of 1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine (CID 170078991) is 1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine.
What is the SMILES notation for 1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine?
The canonical SMILES for 1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine is C=C(NC)c1nc(C)c(C)c(C)c1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine?
The InChIKey is XXBCYLLDSKJQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-9-10(2)13(15(5,6)7)14(12(4)16-8)17-11(9)3/h16H,4H2,1-3,5-8H3.
What are the key properties of 1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine?
1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine has a molecular weight of 232.37 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-4,5,6-trimethyl-2-pyridinyl)-N-methylethenamine is sourced from PubChem (CID 170078991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).