6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine

C16H21N3 — CID 80755878

IUPAC6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(N(CC)c2ccccc2)n1
InChIInChI=1S/C16H21N3/c1-3-13-17-15-11-8-12-16(18-15)19(4-2)14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H,17,18)
InChIKeyZWGKXVRRRWCLJX-UHFFFAOYSA-N
MW255.37 g/mol
LogP4.06
Rot. Bonds6

About 6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine

6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine (PubChem CID 80755878) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine
PubChem CID80755878
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(N(CC)c2ccccc2)n1
InChIInChI=1S/C16H21N3/c1-3-13-17-15-11-8-12-16(18-15)19(4-2)14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H,17,18)
InChIKeyZWGKXVRRRWCLJX-UHFFFAOYSA-N
XLogP4.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-2-N-phenyl-6-N-propylpyrazine-2,6-diamine
CID 80756431
6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 80753536
6-N-propan-2-yl-2-N,6-N-dipropylpyridine-2,6-diamine
CID 80775315
2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol
CID 80797618
6-N-(cyclopropylmethyl)-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 80838817
2-N-ethyl-6-N-methyl-6-N-phenylpyridine-2,6-diamine
CID 80767103
2-N-tert-butyl-6-N-ethyl-6-N-(4-methylphenyl)pyridine-2,6-diamine
CID 115498310
2-[cyanomethyl-[6-(propylamino)-2-pyridinyl]amino]acetonitrile
CID 80753646
6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine
CID 80789572
6-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102998825
4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile
CID 80823294
6-[[benzyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 79233870

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine (CID 80755878) is 6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(N(CC)c2ccccc2)n1.
What is the InChIKey of 6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine?
The InChIKey is ZWGKXVRRRWCLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-13-17-15-11-8-12-16(18-15)19(4-2)14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H,17,18).
What are the key properties of 6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine?
6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine has a molecular weight of 255.37 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80755878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).