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

C15H28N4O — CID 106962282

IUPAC5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
SMILESCC1CC(C)CC(Nc2nnc(CNC(C)(C)C)o2)C1
InChIInChI=1S/C15H28N4O/c1-10-6-11(2)8-12(7-10)17-14-19-18-13(20-14)9-16-15(3,4)5/h10-12,16H,6-9H2,1-5H3,(H,17,19)
InChIKeyVPMLSXWYGHNXET-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.19
Rot. Bonds4

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

5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106962282) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
PubChem CID106962282
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
SMILESCC1CC(C)CC(Nc2nnc(CNC(C)(C)C)o2)C1
InChIInChI=1S/C15H28N4O/c1-10-6-11(2)8-12(7-10)17-14-19-18-13(20-14)9-16-15(3,4)5/h10-12,16H,6-9H2,1-5H3,(H,17,19)
InChIKeyVPMLSXWYGHNXET-UHFFFAOYSA-N
XLogP3.19
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106962276
5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962278
5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
CID 106964971
N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106962281
5-[(2-methoxyethylamino)methyl]-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
CID 106964977
5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine
CID 106970928
5-[(tert-butylamino)methyl]-N-[(2-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969824
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
CID 106965461
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one
CID 106960470
5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964745

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine (CID 106962282) is 5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine is CC1CC(C)CC(Nc2nnc(CNC(C)(C)C)o2)C1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is VPMLSXWYGHNXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-10-6-11(2)8-12(7-10)17-14-19-18-13(20-14)9-16-15(3,4)5/h10-12,16H,6-9H2,1-5H3,(H,17,19).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 280.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).