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

C14H26N4O — CID 106968921

IUPAC5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NCC2CCCCC2)o1
InChIInChI=1S/C14H26N4O/c1-14(2,3)16-10-12-17-18-13(19-12)15-9-11-7-5-4-6-8-11/h11,16H,4-10H2,1-3H3,(H,15,18)
InChIKeyMJEULRAZWKPYKK-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.95
Rot. Bonds5

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

5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106968921) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106968921
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NCC2CCCCC2)o1
InChIInChI=1S/C14H26N4O/c1-14(2,3)16-10-12-17-18-13(19-12)15-9-11-7-5-4-6-8-11/h11,16H,4-10H2,1-3H3,(H,15,18)
InChIKeyMJEULRAZWKPYKK-UHFFFAOYSA-N
XLogP2.95
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964745
5-[(tert-butylamino)methyl]-N-[(2-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969824
5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
CID 106965461
N-(cyclobutylmethyl)-5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-amine
CID 166241934
5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106961224
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-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962282
2-methyl-N-[[5-(2-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106961987
N-(3-cyclopentylpropyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106015746
5-(ethylaminomethyl)-N-[(3-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 114131448
2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62213585

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine (CID 106968921) is 5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine is CC(C)(C)NCc1nnc(NCC2CCCCC2)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MJEULRAZWKPYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-14(2,3)16-10-12-17-18-13(19-12)15-9-11-7-5-4-6-8-11/h11,16H,4-10H2,1-3H3,(H,15,18).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.95, 5 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-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).