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

C13H24N4O — CID 116808047

IUPACN-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(N2CCCCCC2)no1
InChIInChI=1S/C13H24N4O/c1-11(2)14-8-7-12-15-13(16-18-12)17-9-5-3-4-6-10-17/h11,14H,3-10H2,1-2H3
InChIKeyOYLMQNANOMDJFE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.99
Rot. Bonds5

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

N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (PubChem CID 116808047) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
PubChem CID116808047
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(N2CCCCCC2)no1
InChIInChI=1S/C13H24N4O/c1-11(2)14-8-7-12-15-13(16-18-12)17-9-5-3-4-6-10-17/h11,14H,3-10H2,1-2H3
InChIKeyOYLMQNANOMDJFE-UHFFFAOYSA-N
XLogP1.99
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809121
N-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116809152
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116808997
2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116806750
N-ethyl-4-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809112
3-methyl-N-propyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809104
1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808912
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116808837
3-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807044
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 116809352
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116809357

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (CID 116808047) is N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is CC(C)NCCc1nc(N2CCCCCC2)no1.
What is the InChIKey of N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The InChIKey is OYLMQNANOMDJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)14-8-7-12-15-13(16-18-12)17-9-5-3-4-6-10-17/h11,14H,3-10H2,1-2H3.
What are the key properties of N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 116808047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).