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

C14H21N5O — CID 106969218

IUPACN-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(N(C)Cc2ccccn2)o1
InChIInChI=1S/C14H21N5O/c1-11(2)8-15-9-13-17-18-14(20-13)19(3)10-12-6-4-5-7-16-12/h4-7,11,15H,8-10H2,1-3H3
InChIKeyJDAQFBXGEPJLKY-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.85
Rot. Bonds7

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

N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106969218) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106969218
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(N(C)Cc2ccccn2)o1
InChIInChI=1S/C14H21N5O/c1-11(2)8-15-9-13-17-18-14(20-13)19(3)10-12-6-4-5-7-16-12/h4-7,11,15H,8-10H2,1-3H3
InChIKeyJDAQFBXGEPJLKY-UHFFFAOYSA-N
XLogP1.85
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969217
N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline
CID 63060222
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
N-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970880
N-methyl-6-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 66456614
5-[(tert-butylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963085
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971234
N'-methyl-N-(2-methylpropyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62433942
N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966869
N-(3,3-dimethylbutan-2-yl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969942
N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971305
N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106961397

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106969218) is N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine is CC(C)CNCc1nnc(N(C)Cc2ccccn2)o1.
What is the InChIKey of N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is JDAQFBXGEPJLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11(2)8-15-9-13-17-18-14(20-13)19(3)10-12-6-4-5-7-16-12/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 275.36 g/mol, XLogP of 1.85, 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-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).