6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine

C15H21N3S — CID 106015208

IUPAC6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCc2ccc(CC)s2)n1
InChIInChI=1S/C15H21N3S/c1-3-10-16-14-6-5-7-15(18-14)17-11-13-9-8-12(4-2)19-13/h5-9H,3-4,10-11H2,1-2H3,(H2,16,17,18)
InChIKeyOXDOTCOGEHLIJX-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.14
Rot. Bonds7

About 6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine

6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 106015208) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
PubChem CID106015208
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCc2ccc(CC)s2)n1
InChIInChI=1S/C15H21N3S/c1-3-10-16-14-6-5-7-15(18-14)17-11-13-9-8-12(4-2)19-13/h5-9H,3-4,10-11H2,1-2H3,(H2,16,17,18)
InChIKeyOXDOTCOGEHLIJX-UHFFFAOYSA-N
XLogP4.14
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80817701
6-N-[(4-ethylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106900926
2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 106015202
6-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106378770
6-bromo-2-tert-butyl-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 106014151
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80836366
6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80793098
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551
2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 65467227
6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine
CID 104877579
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate
CID 80778103
6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 106014088

Frequently Asked Questions

What is the IUPAC name of 6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine (CID 106015208) is 6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NCc2ccc(CC)s2)n1.
What is the InChIKey of 6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is OXDOTCOGEHLIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-10-16-14-6-5-7-15(18-14)17-11-13-9-8-12(4-2)19-13/h5-9H,3-4,10-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine?
6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 275.42 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 106015208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).