3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine

C20H28N2 — CID 86203051

IUPAC3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine
SMILESCCCCCCC(Nc1ncccc1C)c1ccc(C)cc1
InChIInChI=1S/C20H28N2/c1-4-5-6-7-10-19(18-13-11-16(2)12-14-18)22-20-17(3)9-8-15-21-20/h8-9,11-15,19H,4-7,10H2,1-3H3,(H,21,22)
InChIKeyLVYLSEBMUAQQQD-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.82
Rot. Bonds8

About 3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine

3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine (PubChem CID 86203051) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine
PubChem CID86203051
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine
SMILESCCCCCCC(Nc1ncccc1C)c1ccc(C)cc1
InChIInChI=1S/C20H28N2/c1-4-5-6-7-10-19(18-13-11-16(2)12-14-18)22-20-17(3)9-8-15-21-20/h8-9,11-15,19H,4-7,10H2,1-3H3,(H,21,22)
InChIKeyLVYLSEBMUAQQQD-UHFFFAOYSA-N
XLogP5.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(1-phenylpentyl)pyridin-2-amine
CID 134824082
ethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate
CID 134824203
1-(4-methylphenyl)heptylhydrazine
CID 105194415
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
N-methyl-1-(3-methyl-2-pyridinyl)pentan-1-amine
CID 62604870
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578
1-(3-methyl-2-pyridinyl)octylurea
CID 175203997
N-[1-(4-methylphenyl)propyl]nonan-2-amine
CID 43714881
N-(1-cyclopropylbutyl)-3-methylpyridin-2-amine
CID 115916461
N-[1-(4-methylphenyl)propyl]octan-1-amine
CID 43225299
2-N-octan-2-ylpyridine-2,3-diamine
CID 61476406

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine?
The IUPAC name of 3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine (CID 86203051) is 3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine?
The canonical SMILES for 3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine is CCCCCCC(Nc1ncccc1C)c1ccc(C)cc1.
What is the InChIKey of 3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine?
The InChIKey is LVYLSEBMUAQQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-4-5-6-7-10-19(18-13-11-16(2)12-14-18)22-20-17(3)9-8-15-21-20/h8-9,11-15,19H,4-7,10H2,1-3H3,(H,21,22).
What are the key properties of 3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine?
3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine has a molecular weight of 296.46 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine is sourced from PubChem (CID 86203051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).