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

C13H24N4O — CID 106959586

IUPAC5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CC(C)N(C)c1nnc(CNC2CC2)o1
InChIInChI=1S/C13H24N4O/c1-9(2)7-10(3)17(4)13-16-15-12(18-13)8-14-11-5-6-11/h9-11,14H,5-8H2,1-4H3
InChIKeyUZAOGVBOPULOKO-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.19
Rot. Bonds7

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

5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106959586) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106959586
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CC(C)N(C)c1nnc(CNC2CC2)o1
InChIInChI=1S/C13H24N4O/c1-9(2)7-10(3)17(4)13-16-15-12(18-13)8-14-11-5-6-11/h9-11,14H,5-8H2,1-4H3
InChIKeyUZAOGVBOPULOKO-UHFFFAOYSA-N
XLogP2.19
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(cyclopropylamino)methyl]-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 82468411
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106968644
5-[(cyclopropylamino)methyl]-N-methyl-N-propyl-1,3,4-oxadiazol-2-amine
CID 106968742
N-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106961055
5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106971055
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106960156
N-cyclohexyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3,4-oxadiazol-2-amine
CID 106968014
5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
CID 106959575
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide
CID 106965766
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964848
N-(3,3-dimethylbutan-2-yl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969942
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961914

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine (CID 106959586) is 5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine is CC(C)CC(C)N(C)c1nnc(CNC2CC2)o1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is UZAOGVBOPULOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)7-10(3)17(4)13-16-15-12(18-13)8-14-11-5-6-11/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).