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

C17H23N3 — CID 80753536

IUPAC6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(N(CC)Cc2ccccc2)n1
InChIInChI=1S/C17H23N3/c1-3-13-18-16-11-8-12-17(19-16)20(4-2)14-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H,18,19)
InChIKeyFKOAQYHTCAGTRZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.93
Rot. Bonds7

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

6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine (PubChem CID 80753536) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
PubChem CID80753536
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(N(CC)Cc2ccccc2)n1
InChIInChI=1S/C17H23N3/c1-3-13-18-16-11-8-12-17(19-16)20(4-2)14-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H,18,19)
InChIKeyFKOAQYHTCAGTRZ-UHFFFAOYSA-N
XLogP3.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine
CID 80755878
6-[[benzyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 79233870
6-N-(cyclopropylmethyl)-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 80838817
6-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102998825
2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine
CID 112882826
2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol
CID 80797618
2-[cyanomethyl-[6-(propylamino)-2-pyridinyl]amino]acetonitrile
CID 80753646
6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine
CID 80794389
4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112873142
6-N-propan-2-yl-2-N,6-N-dipropylpyridine-2,6-diamine
CID 80775315
2-N,6-N-diethyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 80798911
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine (CID 80753536) is 6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(N(CC)Cc2ccccc2)n1.
What is the InChIKey of 6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine?
The InChIKey is FKOAQYHTCAGTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-13-18-16-11-8-12-17(19-16)20(4-2)14-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H,18,19).
What are the key properties of 6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine?
6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80753536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).