5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine

C12H22N4O — CID 106964848

IUPAC5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(CNC2CC2)o1)C(C)(C)C
InChIInChI=1S/C12H22N4O/c1-8(12(2,3)4)14-11-16-15-10(17-11)7-13-9-5-6-9/h8-9,13H,5-7H2,1-4H3,(H,14,16)
InChIKeyDNDDVSKCPFDPRC-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.17
Rot. Bonds5

About 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine

5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964848) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106964848
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(CNC2CC2)o1)C(C)(C)C
InChIInChI=1S/C12H22N4O/c1-8(12(2,3)4)14-11-16-15-10(17-11)7-13-9-5-6-9/h8-9,13H,5-7H2,1-4H3,(H,14,16)
InChIKeyDNDDVSKCPFDPRC-UHFFFAOYSA-N
XLogP2.17
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964115
5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960442
5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969066
5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965521
5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)-1,3,4-oxadiazol-2-amine
CID 106965113
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide
CID 106965766
5-[(cyclopropylamino)methyl]-N-[1-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970352
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 106964162
5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106960357
N-[1-(3-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971199
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 106964127
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide
CID 106964518

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine (CID 106964848) is 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine is CC(Nc1nnc(CNC2CC2)o1)C(C)(C)C.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DNDDVSKCPFDPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(12(2,3)4)14-11-16-15-10(17-11)7-13-9-5-6-9/h8-9,13H,5-7H2,1-4H3,(H,14,16).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 238.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).