2,6-dimethyl-N-pentadecylpyridin-4-amine

C22H40N2 — CID 173439602

IUPAC2,6-dimethyl-N-pentadecylpyridin-4-amine
SMILESCCCCCCCCCCCCCCCNc1cc(C)nc(C)c1
InChIInChI=1S/C22H40N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22-18-20(2)24-21(3)19-22/h18-19H,4-17H2,1-3H3,(H,23,24)
InChIKeyJFXSYIMYHWPPIG-UHFFFAOYSA-N
MW332.58 g/mol
LogP7.20
Rot. Bonds15

About 2,6-dimethyl-N-pentadecylpyridin-4-amine

2,6-dimethyl-N-pentadecylpyridin-4-amine (PubChem CID 173439602) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 2,6-dimethyl-N-pentadecylpyridin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-pentadecylpyridin-4-amine
PubChem CID173439602
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name2,6-dimethyl-N-pentadecylpyridin-4-amine
SMILESCCCCCCCCCCCCCCCNc1cc(C)nc(C)c1
InChIInChI=1S/C22H40N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22-18-20(2)24-21(3)19-22/h18-19H,4-17H2,1-3H3,(H,23,24)
InChIKeyJFXSYIMYHWPPIG-UHFFFAOYSA-N
XLogP7.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 57.20
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

2,6-dimethyl-N-propylpyridin-4-amine
CID 126976609
N-(3-butoxypropyl)-2,6-dimethylpyridin-4-amine
CID 114272189
N-butyl-2-fluoro-6-methylpyridin-4-amine;ethane
CID 172632232
N-decyl-4,6-dimethylpyridin-2-amine
CID 151938350
N-hexyl-4,6-dimethylpyridin-2-amine
CID 22105749
4-(butylamino)-6-methylpyridine-2-carbonitrile
CID 130678948
4-bromo-3,5-dimethyl-N-nonylaniline
CID 107573583
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
N-heptyl-3,4-dimethylaniline
CID 43129292
2-heptyl-6-methyl-N-octylpyrimidin-4-amine
CID 58693161
4-methyl-N-octylaniline
CID 11816856

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-pentadecylpyridin-4-amine?
The IUPAC name of 2,6-dimethyl-N-pentadecylpyridin-4-amine (CID 173439602) is 2,6-dimethyl-N-pentadecylpyridin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-pentadecylpyridin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-pentadecylpyridin-4-amine is CCCCCCCCCCCCCCCNc1cc(C)nc(C)c1.
What is the InChIKey of 2,6-dimethyl-N-pentadecylpyridin-4-amine?
The InChIKey is JFXSYIMYHWPPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22-18-20(2)24-21(3)19-22/h18-19H,4-17H2,1-3H3,(H,23,24).
What are the key properties of 2,6-dimethyl-N-pentadecylpyridin-4-amine?
2,6-dimethyl-N-pentadecylpyridin-4-amine has a molecular weight of 332.58 g/mol, XLogP of 7.20, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-pentadecylpyridin-4-amine is sourced from PubChem (CID 173439602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).