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

C16H21N3 — CID 79020710

IUPAC2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
SMILESCCCCc1ccc(Nc2cc(C)c(N)cn2)cc1
InChIInChI=1S/C16H21N3/c1-3-4-5-13-6-8-14(9-7-13)19-16-10-12(2)15(17)11-18-16/h6-11H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyHFVBIWUBQZFEKL-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.06
Rot. Bonds5

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

2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine (PubChem CID 79020710) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
PubChem CID79020710
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
SMILESCCCCc1ccc(Nc2cc(C)c(N)cn2)cc1
InChIInChI=1S/C16H21N3/c1-3-4-5-13-6-8-14(9-7-13)19-16-10-12(2)15(17)11-18-16/h6-11H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyHFVBIWUBQZFEKL-UHFFFAOYSA-N
XLogP4.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine
CID 82061094
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765
2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 79021207
4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285
2-N-(3,4-dimethylphenyl)-4-methylpyridine-2,5-diamine
CID 79020766
N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80895038
ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate
CID 82061056
2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine
CID 43378425
N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895220
N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876804
2-N-(4-propylphenyl)pyrazine-2,5-diamine
CID 80653384
6-(4-butylanilino)pyridine-3-carboxylic acid
CID 43378526

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine (CID 79020710) is 2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine is CCCCc1ccc(Nc2cc(C)c(N)cn2)cc1.
What is the InChIKey of 2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine?
The InChIKey is HFVBIWUBQZFEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-4-5-13-6-8-14(9-7-13)19-16-10-12(2)15(17)11-18-16/h6-11H,3-5,17H2,1-2H3,(H,18,19).
What are the key properties of 2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine?
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine has a molecular weight of 255.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 79020710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).