2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine

C16H21N3 — CID 80811958

IUPAC2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine
SMILESCNc1cccc(NC(C)CCc2ccccc2)n1
InChIInChI=1S/C16H21N3/c1-13(11-12-14-7-4-3-5-8-14)18-16-10-6-9-15(17-2)19-16/h3-10,13H,11-12H2,1-2H3,(H2,17,18,19)
InChIKeyXRLZBKJHOURHSY-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.56
Rot. Bonds6

About 2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine

2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine (PubChem CID 80811958) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine
PubChem CID80811958
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine
SMILESCNc1cccc(NC(C)CCc2ccccc2)n1
InChIInChI=1S/C16H21N3/c1-13(11-12-14-7-4-3-5-8-14)18-16-10-6-9-15(17-2)19-16/h3-10,13H,11-12H2,1-2H3,(H2,17,18,19)
InChIKeyXRLZBKJHOURHSY-UHFFFAOYSA-N
XLogP3.56
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydrazinyl-N-(4-phenylbutan-2-yl)pyridin-2-amine
CID 80903512
2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine
CID 80940320
N-(4-phenylbutan-2-yl)quinoxalin-2-amine
CID 60716412
1-methyl-N-(4-phenylbutan-2-yl)imidazol-2-amine
CID 62133485
5-chloro-2-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
CID 80811720
N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 43098311
N-(4-phenylbutan-2-yl)quinolin-8-amine
CID 43098678
4-phenylbutan-2-ylhydrazine
CID 28622
methyl 6-(4-phenylbutan-2-ylamino)pyrazine-2-carboxylate
CID 66456714
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
1-(6-methyl-2-pyridinyl)-3-(4-phenylbutan-2-yl)thiourea
CID 133215865
(2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol
CID 80848987

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine (CID 80811958) is 2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine is CNc1cccc(NC(C)CCc2ccccc2)n1.
What is the InChIKey of 2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine?
The InChIKey is XRLZBKJHOURHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(11-12-14-7-4-3-5-8-14)18-16-10-6-9-15(17-2)19-16/h3-10,13H,11-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine?
2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine is sourced from PubChem (CID 80811958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).