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

C12H22N4O — CID 106960442

IUPAC5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
SMILESCCCC(CC)Nc1nnc(CNC2CC2)o1
InChIInChI=1S/C12H22N4O/c1-3-5-9(4-2)14-12-16-15-11(17-12)8-13-10-6-7-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyIRVUUOHAGSJYBJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.31
Rot. Bonds8

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

5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine (PubChem CID 106960442) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
PubChem CID106960442
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
SMILESCCCC(CC)Nc1nnc(CNC2CC2)o1
InChIInChI=1S/C12H22N4O/c1-3-5-9(4-2)14-12-16-15-11(17-12)8-13-10-6-7-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyIRVUUOHAGSJYBJ-UHFFFAOYSA-N
XLogP2.31
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965521
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964848
5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106960357
5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960441
N-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106961626
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964115
5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969066
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide
CID 106965766
5-[(cyclopropylamino)methyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966723
5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106962083
5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)-1,3,4-oxadiazol-2-amine
CID 106965113
N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968561

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine (CID 106960442) is 5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine is CCCC(CC)Nc1nnc(CNC2CC2)o1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is IRVUUOHAGSJYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-5-9(4-2)14-12-16-15-11(17-12)8-13-10-6-7-10/h9-10,13H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 238.33 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).