3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine

C16H21N3 — CID 104534081

IUPAC3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine
SMILESCCNc1cncc(N(C)c2ccc(CC)cc2)c1
InChIInChI=1S/C16H21N3/c1-4-13-6-8-15(9-7-13)19(3)16-10-14(18-5-2)11-17-12-16/h6-12,18H,4-5H2,1-3H3
InChIKeyVOPWEKZQECFFKP-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.84
Rot. Bonds5

About 3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine

3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine (PubChem CID 104534081) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine
PubChem CID104534081
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine
SMILESCCNc1cncc(N(C)c2ccc(CC)cc2)c1
InChIInChI=1S/C16H21N3/c1-4-13-6-8-15(9-7-13)19(3)16-10-14(18-5-2)11-17-12-16/h6-12,18H,4-5H2,1-3H3
InChIKeyVOPWEKZQECFFKP-UHFFFAOYSA-N
XLogP3.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine (CID 104534081) is 3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine is CCNc1cncc(N(C)c2ccc(CC)cc2)c1.
What is the InChIKey of 3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine?
The InChIKey is VOPWEKZQECFFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-13-6-8-15(9-7-13)19(3)16-10-14(18-5-2)11-17-12-16/h6-12,18H,4-5H2,1-3H3.
What are the key properties of 3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine?
3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine has a molecular weight of 255.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104534081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).