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

C13H24N4O — CID 106965461

IUPAC5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NCCCC2CC2)o1
InChIInChI=1S/C13H24N4O/c1-13(2,3)15-9-11-16-17-12(18-11)14-8-4-5-10-6-7-10/h10,15H,4-9H2,1-3H3,(H,14,17)
InChIKeyBZLUNKHQIDTVOO-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.56
Rot. Bonds7

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

5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106965461) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106965461
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NCCCC2CC2)o1
InChIInChI=1S/C13H24N4O/c1-13(2,3)15-9-11-16-17-12(18-11)14-8-4-5-10-6-7-10/h10,15H,4-9H2,1-3H3,(H,14,17)
InChIKeyBZLUNKHQIDTVOO-UHFFFAOYSA-N
XLogP2.56
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentylpropyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106015746
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
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-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
CID 106971425
5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106961224
5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962282
5-[(tert-butylamino)methyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966361
5-[(tert-butylamino)methyl]-N-(2,2-dimethylheptyl)-1,3,4-oxadiazol-2-amine
CID 106963397
5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine
CID 106970928
5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106965416

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine (CID 106965461) is 5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine is CC(C)(C)NCc1nnc(NCCCC2CC2)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BZLUNKHQIDTVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2,3)15-9-11-16-17-12(18-11)14-8-4-5-10-6-7-10/h10,15H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.56, 7 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-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106965461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).