4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline

C26H36N2 — CID 102434399

IUPAC4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline
SMILESCC(C)N(c1ccc(C#Cc2ccc(N(C(C)C)C(C)C)cc2)cc1)C(C)C
InChIInChI=1S/C26H36N2/c1-19(2)27(20(3)4)25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)28(21(5)6)22(7)8/h11-22H,1-8H3
InChIKeyUUQYKYVJIDCFJB-UHFFFAOYSA-N
MW376.59 g/mol
LogP6.33
Rot. Bonds6

About 4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline

4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline (PubChem CID 102434399) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline.

Molecular Properties

Compound Name4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline
PubChem CID102434399
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC Name4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline
SMILESCC(C)N(c1ccc(C#Cc2ccc(N(C(C)C)C(C)C)cc2)cc1)C(C)C
InChIInChI=1S/C26H36N2/c1-19(2)27(20(3)4)25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)28(21(5)6)22(7)8/h11-22H,1-8H3
InChIKeyUUQYKYVJIDCFJB-UHFFFAOYSA-N
XLogP6.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-6-tri(propan-2-yl)silyl-3-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-N,N-di(propan-2-yl)aniline
CID 101419042
1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine
CID 126713383
4-[2-[4-[4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethynyl]-N-[4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethynyl]phenyl]anilino]phenyl]ethynyl]-N,N-di(propan-2-yl)benzamide
CID 142414670
N,N-dimethyl-4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]aniline
CID 102353310
N,N-di(propan-2-yl)aniline;ethanamine
CID 175553373
N,N-dimethyl-4-(4-methylpent-1-ynyl)aniline
CID 146003218
4-[2-[4-(dihexylamino)phenyl]ethynyl]-N,N-dihexylaniline
CID 102578786
tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 11657473
4-(2-bromoethynyl)-N,N-dimethylaniline
CID 86205951
1-propan-2-yl-1-(4-propylphenyl)hydrazine
CID 146617332
4-[2-[4-[2-[4-(dimethylamino)phenyl]ethynyl]naphthalen-1-yl]ethynyl]-N,N-dimethylaniline
CID 131997733
CID 164850438
CID 164850438

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline?
The IUPAC name of 4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline (CID 102434399) is 4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline.
What is the SMILES notation for 4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline?
The canonical SMILES for 4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline is CC(C)N(c1ccc(C#Cc2ccc(N(C(C)C)C(C)C)cc2)cc1)C(C)C.
What is the InChIKey of 4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline?
The InChIKey is UUQYKYVJIDCFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2/c1-19(2)27(20(3)4)25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)28(21(5)6)22(7)8/h11-22H,1-8H3.
What are the key properties of 4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline?
4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline has a molecular weight of 376.59 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline is sourced from PubChem (CID 102434399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).