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

C15H28N4O — CID 106961747

IUPACN-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(N2CCCC(C)(C)CC2)o1
InChIInChI=1S/C15H28N4O/c1-5-9-16-12(2)13-17-18-14(20-13)19-10-6-7-15(3,4)8-11-19/h12,16H,5-11H2,1-4H3
InChIKeySMLGQZBMRDPWTG-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.15
Rot. Bonds5

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

N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 106961747) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID106961747
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(N2CCCC(C)(C)CC2)o1
InChIInChI=1S/C15H28N4O/c1-5-9-16-12(2)13-17-18-14(20-13)19-10-6-7-15(3,4)8-11-19/h12,16H,5-11H2,1-4H3
InChIKeySMLGQZBMRDPWTG-UHFFFAOYSA-N
XLogP3.15
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 106961747) is N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(N2CCCC(C)(C)CC2)o1.
What is the InChIKey of N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is SMLGQZBMRDPWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-9-16-12(2)13-17-18-14(20-13)19-10-6-7-15(3,4)8-11-19/h12,16H,5-11H2,1-4H3.
What are the key properties of N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 106961747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).