N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine

C8H16N4O — CID 116799810

IUPACN,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine
SMILESCNC(C)Cc1nc(N(C)C)no1
InChIInChI=1S/C8H16N4O/c1-6(9-2)5-7-10-8(11-13-7)12(3)4/h6,9H,5H2,1-4H3
InChIKeyAXNYASLJZJWXJP-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.29
Rot. Bonds4

About N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine

N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine (PubChem CID 116799810) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine
PubChem CID116799810
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC NameN,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine
SMILESCNC(C)Cc1nc(N(C)C)no1
InChIInChI=1S/C8H16N4O/c1-6(9-2)5-7-10-8(11-13-7)12(3)4/h6,9H,5H2,1-4H3
InChIKeyAXNYASLJZJWXJP-UHFFFAOYSA-N
XLogP0.29
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116799824
N,N-dimethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 115747820
N-methyl-1-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 115081497
N-ethyl-5-[2-(ethylamino)propyl]-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808213
N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809385
N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 116799690
4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116799790
N-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63348232
N-methyl-1-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65143603
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116733624
N-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116809152
5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 75481048

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine (CID 116799810) is N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine is CNC(C)Cc1nc(N(C)C)no1.
What is the InChIKey of N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is AXNYASLJZJWXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6(9-2)5-7-10-8(11-13-7)12(3)4/h6,9H,5H2,1-4H3.
What are the key properties of N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine?
N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 184.24 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116799810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).