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

C12H24N4O — CID 116809384

IUPACN-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine
SMILESCCCNC(CC)Cc1nc(N(C)CC)no1
InChIInChI=1S/C12H24N4O/c1-5-8-13-10(6-2)9-11-14-12(15-17-11)16(4)7-3/h10,13H,5-9H2,1-4H3
InChIKeyDLARRKMUADUXKR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.85
Rot. Bonds8

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

N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine (PubChem CID 116809384) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine
PubChem CID116809384
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine
SMILESCCCNC(CC)Cc1nc(N(C)CC)no1
InChIInChI=1S/C12H24N4O/c1-5-8-13-10(6-2)9-11-14-12(15-17-11)16(4)7-3/h10,13H,5-9H2,1-4H3
InChIKeyDLARRKMUADUXKR-UHFFFAOYSA-N
XLogP1.85
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-[2-(ethylamino)propyl]-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808213
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347724
N-ethyl-N-methyl-5-[1-(propylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 116809420
1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116809019
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350604
N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809385
N-propyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347673
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65093902
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 115531511
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 116809022
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350491
1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79085499

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine (CID 116809384) is N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine is CCCNC(CC)Cc1nc(N(C)CC)no1.
What is the InChIKey of N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is DLARRKMUADUXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-5-8-13-10(6-2)9-11-14-12(15-17-11)16(4)7-3/h10,13H,5-9H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine?
N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 240.35 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116809384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).