4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine

C17H23N3 — CID 115147521

IUPAC4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine
SMILESCc1ccc(C(C)(C)CNc2cc(C)c(N)cn2)cc1
InChIInChI=1S/C17H23N3/c1-12-5-7-14(8-6-12)17(3,4)11-20-16-9-13(2)15(18)10-19-16/h5-10H,11,18H2,1-4H3,(H,19,20)
InChIKeyDTRKZWPOGJHMOX-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.67
Rot. Bonds4

About 4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine

4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine (PubChem CID 115147521) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine
PubChem CID115147521
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine
SMILESCc1ccc(C(C)(C)CNc2cc(C)c(N)cn2)cc1
InChIInChI=1S/C17H23N3/c1-12-5-7-14(8-6-12)17(3,4)11-20-16-9-13(2)15(18)10-19-16/h5-10H,11,18H2,1-4H3,(H,19,20)
InChIKeyDTRKZWPOGJHMOX-UHFFFAOYSA-N
XLogP3.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine
CID 115147522
3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106275327
1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243671
2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine
CID 106899259
4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
CID 79176053
N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 61293532
4-methyl-2-N-(1,2-oxazol-5-ylmethyl)pyridine-2,5-diamine
CID 106414445
4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 79177071
4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine
CID 115147478
4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine
CID 114124714
2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide
CID 79173022
4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 115147485

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine?
The IUPAC name of 4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine (CID 115147521) is 4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine.
What is the SMILES notation for 4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine?
The canonical SMILES for 4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine is Cc1ccc(C(C)(C)CNc2cc(C)c(N)cn2)cc1.
What is the InChIKey of 4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine?
The InChIKey is DTRKZWPOGJHMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-5-7-14(8-6-12)17(3,4)11-20-16-9-13(2)15(18)10-19-16/h5-10H,11,18H2,1-4H3,(H,19,20).
What are the key properties of 4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine?
4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine is sourced from PubChem (CID 115147521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).