6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine

C20H29N3O — CID 86759589

IUPAC6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine
SMILESCCC(CC)c1c(C)nc(Oc2c(C)cc(C)cc2C)c(N)c1N
InChIInChI=1S/C20H29N3O/c1-7-15(8-2)16-14(6)23-20(18(22)17(16)21)24-19-12(4)9-11(3)10-13(19)5/h9-10,15H,7-8,22H2,1-6H3,(H2,21,23)
InChIKeyHHCHDOZHPGIWRC-UHFFFAOYSA-N
MW327.47 g/mol
LogP5.18
Rot. Bonds5

About 6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine

6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine (PubChem CID 86759589) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine.

Molecular Properties

Compound Name6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine
PubChem CID86759589
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine
SMILESCCC(CC)c1c(C)nc(Oc2c(C)cc(C)cc2C)c(N)c1N
InChIInChI=1S/C20H29N3O/c1-7-15(8-2)16-14(6)23-20(18(22)17(16)21)24-19-12(4)9-11(3)10-13(19)5/h9-10,15H,7-8,22H2,1-6H3,(H2,21,23)
InChIKeyHHCHDOZHPGIWRC-UHFFFAOYSA-N
XLogP5.18
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-deuteriopentan-3-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 56980443
6-methyl-4-pentan-3-yl-8-(2,4,6-trimethylphenoxy)-1,7-naphthyridine
CID 18386670
2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine
CID 67697104
3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline
CID 167658948
4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine
CID 23216567
methyl 5-(1-hydroxybutan-2-ylamino)-6-methyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 151783478
2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline
CID 163248709
3,6-dimethyl-1-pentan-3-yl-4-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one
CID 22253373
7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one
CID 18386643
ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 154682760
3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine
CID 56993004
6-(6-ethoxy-4-methyl-2-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 175791282

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine?
The IUPAC name of 6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine (CID 86759589) is 6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine.
What is the SMILES notation for 6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine?
The canonical SMILES for 6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine is CCC(CC)c1c(C)nc(Oc2c(C)cc(C)cc2C)c(N)c1N.
What is the InChIKey of 6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine?
The InChIKey is HHCHDOZHPGIWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-7-15(8-2)16-14(6)23-20(18(22)17(16)21)24-19-12(4)9-11(3)10-13(19)5/h9-10,15H,7-8,22H2,1-6H3,(H2,21,23).
What are the key properties of 6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine?
6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine has a molecular weight of 327.47 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine is sourced from PubChem (CID 86759589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).