3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine

C14H26N4O — CID 115081652

IUPAC3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(C)N1CCCCC1Cc1noc(CCCN)n1
InChIInChI=1S/C14H26N4O/c1-11(2)18-9-4-3-6-12(18)10-13-16-14(19-17-13)7-5-8-15/h11-12H,3-10,15H2,1-2H3
InChIKeyBNTWGXRVBUMVLI-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.77
Rot. Bonds6

About 3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine

3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 115081652) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID115081652
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(C)N1CCCCC1Cc1noc(CCCN)n1
InChIInChI=1S/C14H26N4O/c1-11(2)18-9-4-3-6-12(18)10-13-16-14(19-17-13)7-5-8-15/h11-12H,3-10,15H2,1-2H3
InChIKeyBNTWGXRVBUMVLI-UHFFFAOYSA-N
XLogP1.77
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 115081652) is 3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is CC(C)N1CCCCC1Cc1noc(CCCN)n1.
What is the InChIKey of 3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is BNTWGXRVBUMVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)18-9-4-3-6-12(18)10-13-16-14(19-17-13)7-5-8-15/h11-12H,3-10,15H2,1-2H3.
What are the key properties of 3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115081652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).