5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

C13H24N4O2 — CID 106959364

IUPAC5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(NCCC2CCCO2)o1
InChIInChI=1S/C13H24N4O2/c1-10(2)8-14-9-12-16-17-13(19-12)15-6-5-11-4-3-7-18-11/h10-11,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyRSAMHSGQYNMCMG-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.80
Rot. Bonds8

About 5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106959364) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106959364
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(NCCC2CCCO2)o1
InChIInChI=1S/C13H24N4O2/c1-10(2)8-14-9-12-16-17-13(19-12)15-6-5-11-4-3-7-18-11/h10-11,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyRSAMHSGQYNMCMG-UHFFFAOYSA-N
XLogP1.80
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.80
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-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106957263
5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106971002
N-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959568
2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025739
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106967726
2-methyl-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 64664189
N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 114102779
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970408
5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969861
2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
CID 81033452
2-methyl-N-[[1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 65166397

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106959364) is 5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is CC(C)CNCc1nnc(NCCC2CCCO2)o1.
What is the InChIKey of 5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is RSAMHSGQYNMCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10(2)8-14-9-12-16-17-13(19-12)15-6-5-11-4-3-7-18-11/h10-11,14H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 268.36 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).