1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine

C14H26N4O — CID 65077748

IUPAC1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
SMILESCCCc1nc(C2(N)CCCN(CCC)CC2)no1
InChIInChI=1S/C14H26N4O/c1-3-6-12-16-13(17-19-12)14(15)7-5-10-18(9-4-2)11-8-14/h3-11,15H2,1-2H3
InChIKeyKTYBBTBOEQURLH-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.07
Rot. Bonds5

About 1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine

1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine (PubChem CID 65077748) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine.

Molecular Properties

Compound Name1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
PubChem CID65077748
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
SMILESCCCc1nc(C2(N)CCCN(CCC)CC2)no1
InChIInChI=1S/C14H26N4O/c1-3-6-12-16-13(17-19-12)14(15)7-5-10-18(9-4-2)11-8-14/h3-11,15H2,1-2H3
InChIKeyKTYBBTBOEQURLH-UHFFFAOYSA-N
XLogP2.07
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine?
The IUPAC name of 1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine (CID 65077748) is 1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine.
What is the SMILES notation for 1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine?
The canonical SMILES for 1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine is CCCc1nc(C2(N)CCCN(CCC)CC2)no1.
What is the InChIKey of 1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine?
The InChIKey is KTYBBTBOEQURLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-6-12-16-13(17-19-12)14(15)7-5-10-18(9-4-2)11-8-14/h3-11,15H2,1-2H3.
What are the key properties of 1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine?
1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine has a molecular weight of 266.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine is sourced from PubChem (CID 65077748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).