N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine

C14H25N3O — CID 62164844

IUPACN-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(CC2CCCCC2)o1
InChIInChI=1S/C14H25N3O/c1-11(2)15-9-8-13-16-17-14(18-13)10-12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3
InChIKeyUNMXRLZRRDKEBJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.73
Rot. Bonds6

About N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine

N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (PubChem CID 62164844) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
PubChem CID62164844
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(CC2CCCCC2)o1
InChIInChI=1S/C14H25N3O/c1-11(2)15-9-8-13-16-17-14(18-13)10-12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3
InChIKeyUNMXRLZRRDKEBJ-UHFFFAOYSA-N
XLogP2.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62138939
N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 103166366
2-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 103166389
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62139278
N-[3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 62164255
N-[[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137045
N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 107003049
N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 103166387
N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 103166380
N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55151254
2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole
CID 53017482
4-[5-(cycloheptylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid
CID 114458502

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (CID 62164844) is N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is CC(C)NCCc1nnc(CC2CCCCC2)o1.
What is the InChIKey of N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is UNMXRLZRRDKEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)15-9-8-13-16-17-14(18-13)10-12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 62164844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).