N,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine

C27H33N3O — CID 23585582

IUPACN,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine
SMILESCN(C)C(CCc1ccccc1)C1CCC(/C=C/c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C27H33N3O/c1-30(2)25(19-15-21-9-5-3-6-10-21)23-17-13-22(14-18-23)16-20-26-28-27(29-31-26)24-11-7-4-8-12-24/h3-12,16,20,22-23,25H,13-15,17-19H2,1-2H3/b20-16+
InChIKeyCHUGAUWTGICBMM-CAPFRKAQSA-N
MW415.58 g/mol
LogP6.12
Rot. Bonds8

About N,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine

N,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine (PubChem CID 23585582) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine
PubChem CID23585582
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC NameN,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine
SMILESCN(C)C(CCc1ccccc1)C1CCC(/C=C/c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C27H33N3O/c1-30(2)25(19-15-21-9-5-3-6-10-21)23-17-13-22(14-18-23)16-20-26-28-27(29-31-26)24-11-7-4-8-12-24/h3-12,16,20,22-23,25H,13-15,17-19H2,1-2H3/b20-16+
InChIKeyCHUGAUWTGICBMM-CAPFRKAQSA-N
XLogP6.12
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine (CID 23585582) is N,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine is CN(C)C(CCc1ccccc1)C1CCC(/C=C/c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine?
The InChIKey is CHUGAUWTGICBMM-CAPFRKAQSA-N. The full InChI is InChI=1S/C27H33N3O/c1-30(2)25(19-15-21-9-5-3-6-10-21)23-17-13-22(14-18-23)16-20-26-28-27(29-31-26)24-11-7-4-8-12-24/h3-12,16,20,22-23,25H,13-15,17-19H2,1-2H3/b20-16+.
What are the key properties of N,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine?
N,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine has a molecular weight of 415.58 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine is sourced from PubChem (CID 23585582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).