5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine

C9H18N4OS — CID 106964244

IUPAC5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCSCC(C)N(C)c1nnc(C(C)N)o1
InChIInChI=1S/C9H18N4OS/c1-6(5-15-4)13(3)9-12-11-8(14-9)7(2)10/h6-7H,5,10H2,1-4H3
InChIKeyQCMJNSXODCMVNO-UHFFFAOYSA-N
MW230.34 g/mol
LogP1.28
Rot. Bonds5

About 5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine

5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964244) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106964244
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC Name5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCSCC(C)N(C)c1nnc(C(C)N)o1
InChIInChI=1S/C9H18N4OS/c1-6(5-15-4)13(3)9-12-11-8(14-9)7(2)10/h6-7H,5,10H2,1-4H3
InChIKeyQCMJNSXODCMVNO-UHFFFAOYSA-N
XLogP1.28
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106971387
N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964208
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964246
5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960866
(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 94344079
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 106959440
3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine
CID 143265332
N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969331
(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
CID 52995250
5-(1-aminoethyl)-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961320
5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964204
1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine
CID 84649192

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine (CID 106964244) is 5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine is CSCC(C)N(C)c1nnc(C(C)N)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is QCMJNSXODCMVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-6(5-15-4)13(3)9-12-11-8(14-9)7(2)10/h6-7H,5,10H2,1-4H3.
What are the key properties of 5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 230.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).