5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine

C15H30N4O — CID 106969811

IUPAC5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CN(CC(C)C)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C15H30N4O/c1-11(2)9-19(10-12(3)4)14-18-17-13(20-14)8-16-15(5,6)7/h11-12,16H,8-10H2,1-7H3
InChIKeyPYJHFFRKAATPKV-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.08
Rot. Bonds7

About 5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine

5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106969811) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106969811
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CN(CC(C)C)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C15H30N4O/c1-11(2)9-19(10-12(3)4)14-18-17-13(20-14)8-16-15(5,6)7/h11-12,16H,8-10H2,1-7H3
InChIKeyPYJHFFRKAATPKV-UHFFFAOYSA-N
XLogP3.08
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine
CID 106967540
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide
CID 106971169
5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106961668
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106969630
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 106969906
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 107871949
5-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964210
5-[(tert-butylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963085
5-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-1,3,4-oxadiazol-2-amine
CID 106969105
2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106970609
5-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970975

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine (CID 106969811) is 5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine is CC(C)CN(CC(C)C)c1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PYJHFFRKAATPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-11(2)9-19(10-12(3)4)14-18-17-13(20-14)8-16-15(5,6)7/h11-12,16H,8-10H2,1-7H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 282.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).