5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine

C13H24N4O2 — CID 106971002

IUPAC5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(NCC2CCCOC2)o1
InChIInChI=1S/C13H24N4O2/c1-10(2)6-14-8-12-16-17-13(19-12)15-7-11-4-3-5-18-9-11/h10-11,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyGHMDWRLEKJYCLE-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.65
Rot. Bonds7

About 5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine

5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106971002) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106971002
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(NCC2CCCOC2)o1
InChIInChI=1S/C13H24N4O2/c1-10(2)6-14-8-12-16-17-13(19-12)15-7-11-4-3-5-18-9-11/h10-11,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyGHMDWRLEKJYCLE-UHFFFAOYSA-N
XLogP1.65
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methylpropylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964746
N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960664
5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959364
5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106971003
N-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959568
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106967726
N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 114102779
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967633
N-(2-cyclopropylpropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106964701
N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967300
5-(ethylaminomethyl)-N-[(3-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 114131448

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106971002) is 5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine is CC(C)CNCc1nnc(NCC2CCCOC2)o1.
What is the InChIKey of 5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GHMDWRLEKJYCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10(2)6-14-8-12-16-17-13(19-12)15-7-11-4-3-5-18-9-11/h10-11,14H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 268.36 g/mol, XLogP of 1.65, 7 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-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106971002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).