5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine

C22H31N3 — CID 167157124

IUPAC5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine
SMILESC=C(c1ccc(Cc2cc(CCCCC)c(N)nc2C)cc1)N(C)C
InChIInChI=1S/C22H31N3/c1-6-7-8-9-20-15-21(16(2)24-22(20)23)14-18-10-12-19(13-11-18)17(3)25(4)5/h10-13,15H,3,6-9,14H2,1-2,4-5H3,(H2,23,24)
InChIKeyNFCWUVVCVLUHCX-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.83
Rot. Bonds8

About 5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine

5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine (PubChem CID 167157124) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is 5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine.

Molecular Properties

Compound Name5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine
PubChem CID167157124
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC Name5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine
SMILESC=C(c1ccc(Cc2cc(CCCCC)c(N)nc2C)cc1)N(C)C
InChIInChI=1S/C22H31N3/c1-6-7-8-9-20-15-21(16(2)24-22(20)23)14-18-10-12-19(13-11-18)17(3)25(4)5/h10-13,15H,3,6-9,14H2,1-2,4-5H3,(H2,23,24)
InChIKeyNFCWUVVCVLUHCX-UHFFFAOYSA-N
XLogP4.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine
CID 167157059
6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine
CID 167157153
5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine
CID 167157109
6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 167157088
[2-[(6-amino-2-methyl-5-pentyl-3-pyridinyl)methyl]-5-[(dimethylamino)methyl]phenyl] acetate
CID 167157163
6-methyl-5-[[2-(2-methylprop-2-enyl)-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-pentylpyridin-2-amine
CID 167157045
5-benzyl-3-pentylquinolin-2-amine
CID 122192094
3-octylquinolin-2-amine
CID 23131231
6-methyl-3-pentylpyridin-2-amine
CID 167157111
N-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline
CID 142207028
1,4-bis[(2-octylphenyl)methyl]benzene
CID 22921262
4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-2-octylphenyl]methyl]-2-octylphenyl]methyl]phenyl]methyl]aniline
CID 22920658

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine?
The IUPAC name of 5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine (CID 167157124) is 5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine.
What is the SMILES notation for 5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine?
The canonical SMILES for 5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine is C=C(c1ccc(Cc2cc(CCCCC)c(N)nc2C)cc1)N(C)C.
What is the InChIKey of 5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine?
The InChIKey is NFCWUVVCVLUHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3/c1-6-7-8-9-20-15-21(16(2)24-22(20)23)14-18-10-12-19(13-11-18)17(3)25(4)5/h10-13,15H,3,6-9,14H2,1-2,4-5H3,(H2,23,24).
What are the key properties of 5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine?
5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine has a molecular weight of 337.51 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine is sourced from PubChem (CID 167157124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).