N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine

C17H23N3O — CID 60500388

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine
SMILESCCc1ccc(CN(Cc2nnc(CC)o2)C2CC2)cc1
InChIInChI=1S/C17H23N3O/c1-3-13-5-7-14(8-6-13)11-20(15-9-10-15)12-17-19-18-16(4-2)21-17/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyUPGXVDOWZXDQTI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.36
Rot. Bonds7

About N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine (PubChem CID 60500388) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine
PubChem CID60500388
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine
SMILESCCc1ccc(CN(Cc2nnc(CC)o2)C2CC2)cc1
InChIInChI=1S/C17H23N3O/c1-3-13-5-7-14(8-6-13)11-20(15-9-10-15)12-17-19-18-16(4-2)21-17/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyUPGXVDOWZXDQTI-UHFFFAOYSA-N
XLogP3.36
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine (CID 60500388) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine is CCc1ccc(CN(Cc2nnc(CC)o2)C2CC2)cc1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine?
The InChIKey is UPGXVDOWZXDQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-13-5-7-14(8-6-13)11-20(15-9-10-15)12-17-19-18-16(4-2)21-17/h5-8,15H,3-4,9-12H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine has a molecular weight of 285.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 60500388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).