5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine

C9H16N4O2 — CID 106969861

IUPAC5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESNCc1nnc(NCC2CCCCO2)o1
InChIInChI=1S/C9H16N4O2/c10-5-8-12-13-9(15-8)11-6-7-3-1-2-4-14-7/h7H,1-6,10H2,(H,11,13)
InChIKeyNOYIRHFMWWSZCJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.51
Rot. Bonds4

About 5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106969861) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106969861
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESNCc1nnc(NCC2CCCCO2)o1
InChIInChI=1S/C9H16N4O2/c10-5-8-12-13-9(15-8)11-6-7-3-1-2-4-14-7/h7H,1-6,10H2,(H,11,13)
InChIKeyNOYIRHFMWWSZCJ-UHFFFAOYSA-N
XLogP0.51
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967300
[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736
5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106957263
5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964738
[5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630087
5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959364
5-(oxan-2-ylmethylamino)pyridine-2-carbothioamide
CID 113320878
5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine
CID 114448388
3-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277519
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole
CID 114771865
6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79825613

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106969861) is 5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine is NCc1nnc(NCC2CCCCO2)o1.
What is the InChIKey of 5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NOYIRHFMWWSZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c10-5-8-12-13-9(15-8)11-6-7-3-1-2-4-14-7/h7H,1-6,10H2,(H,11,13).
What are the key properties of 5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 212.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).