2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine

C16H21N3 — CID 55187303

IUPAC2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H21N3/c1-11-9-13(17)10-18-15(11)19-14-7-5-12(6-8-14)16(2,3)4/h5-10H,17H2,1-4H3,(H,18,19)
InChIKeyUVRYHDKYORGFJO-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.01
Rot. Bonds2

About 2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine

2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine (PubChem CID 55187303) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine
PubChem CID55187303
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H21N3/c1-11-9-13(17)10-18-15(11)19-14-7-5-12(6-8-14)16(2,3)4/h5-10H,17H2,1-4H3,(H,18,19)
InChIKeyUVRYHDKYORGFJO-UHFFFAOYSA-N
XLogP4.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine (CID 55187303) is 2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine is Cc1cc(N)cnc1Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine?
The InChIKey is UVRYHDKYORGFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-9-13(17)10-18-15(11)19-14-7-5-12(6-8-14)16(2,3)4/h5-10H,17H2,1-4H3,(H,18,19).
What are the key properties of 2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine?
2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine has a molecular weight of 255.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 55187303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).