N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

C13H26N4O — CID 106969331

IUPACN-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(N(C)C(C)CCC)o1
InChIInChI=1S/C13H26N4O/c1-6-8-10(3)17(5)13-16-15-12(18-13)11(4)14-9-7-2/h10-11,14H,6-9H2,1-5H3
InChIKeyGRKOWBGZKXPJDJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.76
Rot. Bonds8

About N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106969331) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106969331
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(N(C)C(C)CCC)o1
InChIInChI=1S/C13H26N4O/c1-6-8-10(3)17(5)13-16-15-12(18-13)11(4)14-9-7-2/h10-11,14H,6-9H2,1-5H3
InChIKeyGRKOWBGZKXPJDJ-UHFFFAOYSA-N
XLogP2.76
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106969331) is N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(N(C)C(C)CCC)o1.
What is the InChIKey of N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GRKOWBGZKXPJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-8-10(3)17(5)13-16-15-12(18-13)11(4)14-9-7-2/h10-11,14H,6-9H2,1-5H3.
What are the key properties of N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 254.38 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).