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

C9H18N4O — CID 106966116

IUPAC5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
SMILESCCCCCNc1nnc(C(C)N)o1
InChIInChI=1S/C9H18N4O/c1-3-4-5-6-11-9-13-12-8(14-9)7(2)10/h7H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyOOBIFHBRLGTTDW-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.69
Rot. Bonds6

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

5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine (PubChem CID 106966116) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
PubChem CID106966116
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
SMILESCCCCCNc1nnc(C(C)N)o1
InChIInChI=1S/C9H18N4O/c1-3-4-5-6-11-9-13-12-8(14-9)7(2)10/h7H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyOOBIFHBRLGTTDW-UHFFFAOYSA-N
XLogP1.69
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.69
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

5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 114004538
5-(1-chloroethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106958884
5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961130
5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine
CID 106958258
5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819595
5-(1-aminoethyl)-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961320
5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960512
5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106962258
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343666
5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 106967664
5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106413157
5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964860

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine (CID 106966116) is 5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine is CCCCCNc1nnc(C(C)N)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine?
The InChIKey is OOBIFHBRLGTTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-3-4-5-6-11-9-13-12-8(14-9)7(2)10/h7H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine has a molecular weight of 198.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).