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

C14H23N3O — CID 55039549

IUPACN-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESC1CCC(CCc2nnc(CNC3CC3)o2)CC1
InChIInChI=1S/C14H23N3O/c1-2-4-11(5-3-1)6-9-13-16-17-14(18-13)10-15-12-7-8-12/h11-12,15H,1-10H2
InChIKeyFSICFHHOXHJVPM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.83
Rot. Bonds6

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

N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 55039549) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID55039549
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESC1CCC(CCc2nnc(CNC3CC3)o2)CC1
InChIInChI=1S/C14H23N3O/c1-2-4-11(5-3-1)6-9-13-16-17-14(18-13)10-15-12-7-8-12/h11-12,15H,1-10H2
InChIKeyFSICFHHOXHJVPM-UHFFFAOYSA-N
XLogP2.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 55039549) is N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is C1CCC(CCc2nnc(CNC3CC3)o2)CC1.
What is the InChIKey of N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is FSICFHHOXHJVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-4-11(5-3-1)6-9-13-16-17-14(18-13)10-15-12-7-8-12/h11-12,15H,1-10H2.
What are the key properties of N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55039549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).