5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine

C17H23N3 — CID 104534804

IUPAC5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C17H23N3/c1-5-19-13-10-14(12-18-11-13)20-16-9-7-6-8-15(16)17(2,3)4/h6-12,19-20H,5H2,1-4H3
InChIKeyRTSHINVRHPIDGL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.55
Rot. Bonds4

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

5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine (PubChem CID 104534804) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine
PubChem CID104534804
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C17H23N3/c1-5-19-13-10-14(12-18-11-13)20-16-9-7-6-8-15(16)17(2,3)4/h6-12,19-20H,5H2,1-4H3
InChIKeyRTSHINVRHPIDGL-UHFFFAOYSA-N
XLogP4.55
TPSA36.95 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 ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192
5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238796
5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 107638767
2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile
CID 104533044
5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423741
5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109244010
5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423990
5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532261
4-N-(2-tert-butylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80822747
5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104532392
3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine
CID 104532249

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine?
The IUPAC name of 5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine (CID 104534804) is 5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine is CCNc1cncc(Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of 5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine?
The InChIKey is RTSHINVRHPIDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-19-13-10-14(12-18-11-13)20-16-9-7-6-8-15(16)17(2,3)4/h6-12,19-20H,5H2,1-4H3.
What are the key properties of 5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine?
5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine has a molecular weight of 269.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine is sourced from PubChem (CID 104534804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).