2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine

C17H23N3 — CID 115147336

IUPAC2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine
SMILESCc1cc(N(C)c2ccc(CC(C)C)cc2)ncc1N
InChIInChI=1S/C17H23N3/c1-12(2)9-14-5-7-15(8-6-14)20(4)17-10-13(3)16(18)11-19-17/h5-8,10-12H,9,18H2,1-4H3
InChIKeyTZAXIWFITFMDMB-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.94
Rot. Bonds4

About 2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine

2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine (PubChem CID 115147336) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine
PubChem CID115147336
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine
SMILESCc1cc(N(C)c2ccc(CC(C)C)cc2)ncc1N
InChIInChI=1S/C17H23N3/c1-12(2)9-14-5-7-15(8-6-14)20(4)17-10-13(3)16(18)11-19-17/h5-8,10-12H,9,18H2,1-4H3
InChIKeyTZAXIWFITFMDMB-UHFFFAOYSA-N
XLogP3.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine?
The IUPAC name of 2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine (CID 115147336) is 2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine is Cc1cc(N(C)c2ccc(CC(C)C)cc2)ncc1N.
What is the InChIKey of 2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine?
The InChIKey is TZAXIWFITFMDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(2)9-14-5-7-15(8-6-14)20(4)17-10-13(3)16(18)11-19-17/h5-8,10-12H,9,18H2,1-4H3.
What are the key properties of 2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine?
2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine is sourced from PubChem (CID 115147336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).