5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine

C21H30N2 — CID 167157109

IUPAC5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine
SMILESCCCCCc1cc(CCc2ccc(CC)cc2)c(C)nc1N
InChIInChI=1S/C21H30N2/c1-4-6-7-8-20-15-19(16(3)23-21(20)22)14-13-18-11-9-17(5-2)10-12-18/h9-12,15H,4-8,13-14H2,1-3H3,(H2,22,23)
InChIKeyCTWLSCFMYNJKJX-UHFFFAOYSA-N
MW310.49 g/mol
LogP5.05
Rot. Bonds8

About 5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine

5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine (PubChem CID 167157109) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine.

Molecular Properties

Compound Name5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine
PubChem CID167157109
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine
SMILESCCCCCc1cc(CCc2ccc(CC)cc2)c(C)nc1N
InChIInChI=1S/C21H30N2/c1-4-6-7-8-20-15-19(16(3)23-21(20)22)14-13-18-11-9-17(5-2)10-12-18/h9-12,15H,4-8,13-14H2,1-3H3,(H2,22,23)
InChIKeyCTWLSCFMYNJKJX-UHFFFAOYSA-N
XLogP5.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.49
LogP ≤ 55.05
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

5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine
CID 167157124
5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine
CID 167157059
6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 167157088
6-methyl-5-[[2-(2-methylprop-2-enyl)-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-pentylpyridin-2-amine
CID 167157045
3-octylquinolin-2-amine
CID 23131231
6-methyl-3-pentylpyridin-2-amine
CID 167157111
1-ethyl-4-octacosylbenzene
CID 175218304
[2-[(6-amino-2-methyl-5-pentyl-3-pyridinyl)methyl]-5-[(dimethylamino)methyl]phenyl] acetate
CID 167157163
5-ethyl-2-hexylaniline
CID 22065589
4-ethyl-2-methyl-1-pentylbenzene
CID 143596455
5-benzyl-3-pentylquinolin-2-amine
CID 122192094
3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine
CID 59546346

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine?
The IUPAC name of 5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine (CID 167157109) is 5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine.
What is the SMILES notation for 5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine?
The canonical SMILES for 5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine is CCCCCc1cc(CCc2ccc(CC)cc2)c(C)nc1N.
What is the InChIKey of 5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine?
The InChIKey is CTWLSCFMYNJKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-4-6-7-8-20-15-19(16(3)23-21(20)22)14-13-18-11-9-17(5-2)10-12-18/h9-12,15H,4-8,13-14H2,1-3H3,(H2,22,23).
What are the key properties of 5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine?
5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine has a molecular weight of 310.49 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine is sourced from PubChem (CID 167157109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).