5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine

C8H16N4O — CID 106967633

IUPAC5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NCC(C)C)o1
InChIInChI=1S/C8H16N4O/c1-6(2)4-10-8-12-11-7(13-8)5-9-3/h6,9H,4-5H2,1-3H3,(H,10,12)
InChIKeyIIALKNMLHQQPNL-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.86
Rot. Bonds5

About 5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine

5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106967633) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106967633
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NCC(C)C)o1
InChIInChI=1S/C8H16N4O/c1-6(2)4-10-8-12-11-7(13-8)5-9-3/h6,9H,4-5H2,1-3H3,(H,10,12)
InChIKeyIIALKNMLHQQPNL-UHFFFAOYSA-N
XLogP0.86
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106971186
5-(methylaminomethyl)-N-(3-methylsulfinylbutyl)-1,3,4-oxadiazol-2-amine
CID 106964576
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106967726
5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960518
N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106964866
5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 137343503
5-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 107421558
N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 114102779
N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959871
5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969561
5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine
CID 106963651

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine (CID 106967633) is 5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(NCC(C)C)o1.
What is the InChIKey of 5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is IIALKNMLHQQPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6(2)4-10-8-12-11-7(13-8)5-9-3/h6,9H,4-5H2,1-3H3,(H,10,12).
What are the key properties of 5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 184.24 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).