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

C14H26N4O2 — CID 106961397

IUPACN-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(N(C)CC2CCOCC2)o1
InChIInChI=1S/C14H26N4O2/c1-11(2)8-15-9-13-16-17-14(20-13)18(3)10-12-4-6-19-7-5-12/h11-12,15H,4-10H2,1-3H3
InChIKeyFGZSPLOVLDDOGE-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.68
Rot. Bonds7

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

N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106961397) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106961397
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(N(C)CC2CCOCC2)o1
InChIInChI=1S/C14H26N4O2/c1-11(2)8-15-9-13-16-17-14(20-13)18(3)10-12-4-6-19-7-5-12/h11-12,15H,4-10H2,1-3H3
InChIKeyFGZSPLOVLDDOGE-UHFFFAOYSA-N
XLogP1.68
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106961397) is N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine is CC(C)CNCc1nnc(N(C)CC2CCOCC2)o1.
What is the InChIKey of N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is FGZSPLOVLDDOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-11(2)8-15-9-13-16-17-14(20-13)18(3)10-12-4-6-19-7-5-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 282.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).