6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine

C25H30N2 — CID 155602208

IUPAC6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine
SMILESCCCCCCc1cccc(-c2cccc(-c3ccc(N(C)C)cn3)c2)c1
InChIInChI=1S/C25H30N2/c1-4-5-6-7-10-20-11-8-12-21(17-20)22-13-9-14-23(18-22)25-16-15-24(19-26-25)27(2)3/h8-9,11-19H,4-7,10H2,1-3H3
InChIKeyDTNXTIQMCYBVEI-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.60
Rot. Bonds8

About 6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine

6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine (PubChem CID 155602208) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine.

Molecular Properties

Compound Name6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine
PubChem CID155602208
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine
SMILESCCCCCCc1cccc(-c2cccc(-c3ccc(N(C)C)cn3)c2)c1
InChIInChI=1S/C25H30N2/c1-4-5-6-7-10-20-11-8-12-21(17-20)22-13-9-14-23(18-22)25-16-15-24(19-26-25)27(2)3/h8-9,11-19H,4-7,10H2,1-3H3
InChIKeyDTNXTIQMCYBVEI-UHFFFAOYSA-N
XLogP6.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine
CID 140867035
5-(2,6-dimethylphenyl)-2-phenylpyridine;6-[3-(3-hexylphenyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-3-amine;iridium
CID 155602207
2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104
3-(4-dodecylphenyl)-N,N-dimethylaniline
CID 57074168
2-[3-(4-butylphenyl)phenyl]-5-methylpyridine
CID 140633723
1,3-di(tetradecyl)benzene
CID 91053224
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
4-heptyl-N,N-dimethylaniline
CID 20777180
2-octylazulene
CID 101406191
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
3-(3-tridecylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59621692
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine?
The IUPAC name of 6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine (CID 155602208) is 6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine.
What is the SMILES notation for 6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine?
The canonical SMILES for 6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine is CCCCCCc1cccc(-c2cccc(-c3ccc(N(C)C)cn3)c2)c1.
What is the InChIKey of 6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine?
The InChIKey is DTNXTIQMCYBVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-4-5-6-7-10-20-11-8-12-21(17-20)22-13-9-14-23(18-22)25-16-15-24(19-26-25)27(2)3/h8-9,11-19H,4-7,10H2,1-3H3.
What are the key properties of 6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine?
6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine has a molecular weight of 358.53 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 155602208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).