5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine

C9H16N4O — CID 106964971

IUPAC5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
SMILESCC1CC(Nc2nnc(CCN)o2)C1
InChIInChI=1S/C9H16N4O/c1-6-4-7(5-6)11-9-13-12-8(14-9)2-3-10/h6-7H,2-5,10H2,1H3,(H,11,13)
InChIKeyBJTPKBCAEVSPCL-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.78
Rot. Bonds4

About 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964971) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
PubChem CID106964971
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
SMILESCC1CC(Nc2nnc(CCN)o2)C1
InChIInChI=1S/C9H16N4O/c1-6-4-7(5-6)11-9-13-12-8(14-9)2-3-10/h6-7H,2-5,10H2,1H3,(H,11,13)
InChIKeyBJTPKBCAEVSPCL-UHFFFAOYSA-N
XLogP0.78
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106962276
5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962278
5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962282
5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine
CID 127017077
5-[(2-methoxyethylamino)methyl]-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
CID 106964977
N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106962281
5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106959560
5-(2-aminoethyl)-N-(1-cyclobutylethyl)-1,3,4-oxadiazol-2-amine
CID 106965502
5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959682
5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine
CID 137340433
5-[(cyclopropylamino)methyl]-N-(3,4-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962068
5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966297

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine (CID 106964971) is 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine is CC1CC(Nc2nnc(CCN)o2)C1.
What is the InChIKey of 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BJTPKBCAEVSPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-4-7(5-6)11-9-13-12-8(14-9)2-3-10/h6-7H,2-5,10H2,1H3,(H,11,13).
What are the key properties of 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 196.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).