N-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine

C30H37N — CID 170028344

IUPACN-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cc(C)c(/C=C/c2cccc(-c3ccccc3)c2C)cc1C
InChIInChI=1S/C30H37N/c1-6-18-31(19-7-2)22-29-21-23(3)28(20-24(29)4)17-16-26-14-11-15-30(25(26)5)27-12-9-8-10-13-27/h8-17,20-21H,6-7,18-19,22H2,1-5H3/b17-16+
InChIKeyDGAIICUQRAOURS-WUKNDPDISA-N
MW411.63 g/mol
LogP8.07
Rot. Bonds9

About N-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine

N-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine (PubChem CID 170028344) has the molecular formula C30H37N and a molecular weight of 411.63 g/mol. Its IUPAC name is N-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine
PubChem CID170028344
Molecular FormulaC30H37N
Molecular Weight411.63 g/mol
Exact Mass411.29
IUPAC NameN-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cc(C)c(/C=C/c2cccc(-c3ccccc3)c2C)cc1C
InChIInChI=1S/C30H37N/c1-6-18-31(19-7-2)22-29-21-23(3)28(20-24(29)4)17-16-26-14-11-15-30(25(26)5)27-12-9-8-10-13-27/h8-17,20-21H,6-7,18-19,22H2,1-5H3/b17-16+
InChIKeyDGAIICUQRAOURS-WUKNDPDISA-N
XLogP8.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine (CID 170028344) is N-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1cc(C)c(/C=C/c2cccc(-c3ccccc3)c2C)cc1C.
What is the InChIKey of N-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine?
The InChIKey is DGAIICUQRAOURS-WUKNDPDISA-N. The full InChI is InChI=1S/C30H37N/c1-6-18-31(19-7-2)22-29-21-23(3)28(20-24(29)4)17-16-26-14-11-15-30(25(26)5)27-12-9-8-10-13-27/h8-17,20-21H,6-7,18-19,22H2,1-5H3/b17-16+.
What are the key properties of N-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine?
N-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine has a molecular weight of 411.63 g/mol, XLogP of 8.07, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 170028344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).