3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine

C16H21N3 — CID 104532249

IUPAC3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine
SMILESCCNc1cncc(Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C16H21N3/c1-4-18-15-9-16(11-17-10-15)19-14-7-5-13(6-8-14)12(2)3/h5-12,18-19H,4H2,1-3H3
InChIKeyWCKOQLIACKFFLI-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.38
Rot. Bonds5

About 3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine

3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine (PubChem CID 104532249) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine
PubChem CID104532249
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine
SMILESCCNc1cncc(Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C16H21N3/c1-4-18-15-9-16(11-17-10-15)19-14-7-5-13(6-8-14)12(2)3/h5-12,18-19H,4H2,1-3H3
InChIKeyWCKOQLIACKFFLI-UHFFFAOYSA-N
XLogP4.38
TPSA36.95 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 ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192
5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532261
3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine
CID 104532189
3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine
CID 104534517
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol
CID 68948532
5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104535772
3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline
CID 177290097
3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine
CID 104534461
molecular hydrogen;N-phenyl-5-propan-2-ylpyridin-3-amine
CID 177237775
5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423990

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine (CID 104532249) is 3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine is CCNc1cncc(Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine?
The InChIKey is WCKOQLIACKFFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-18-15-9-16(11-17-10-15)19-14-7-5-13(6-8-14)12(2)3/h5-12,18-19H,4H2,1-3H3.
What are the key properties of 3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine?
3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine has a molecular weight of 255.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine is sourced from PubChem (CID 104532249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).