5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine

C14H20N2 — CID 123686489

IUPAC5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine
SMILESC=Cc1cc(C(C)(C)C)cnc1N(C)C=C
InChIInChI=1S/C14H20N2/c1-7-11-9-12(14(3,4)5)10-15-13(11)16(6)8-2/h7-10H,1-2H2,3-6H3
InChIKeyKKUSJWLMUATFPF-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.60
Rot. Bonds3

About 5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine

5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine (PubChem CID 123686489) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine
PubChem CID123686489
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine
SMILESC=Cc1cc(C(C)(C)C)cnc1N(C)C=C
InChIInChI=1S/C14H20N2/c1-7-11-9-12(14(3,4)5)10-15-13(11)16(6)8-2/h7-10H,1-2H2,3-6H3
InChIKeyKKUSJWLMUATFPF-UHFFFAOYSA-N
XLogP3.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine (CID 123686489) is 5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine is C=Cc1cc(C(C)(C)C)cnc1N(C)C=C.
What is the InChIKey of 5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine?
The InChIKey is KKUSJWLMUATFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-7-11-9-12(14(3,4)5)10-15-13(11)16(6)8-2/h7-10H,1-2H2,3-6H3.
What are the key properties of 5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine?
5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine has a molecular weight of 216.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N,3-bis(ethenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 123686489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).