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

C10H20N4O — CID 106961130

IUPAC5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CCCNc1nnc(C(C)N)o1
InChIInChI=1S/C10H20N4O/c1-7(2)5-4-6-12-10-14-13-9(15-10)8(3)11/h7-8H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyRMDHPRJFWBRSLP-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.94
Rot. Bonds6

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

5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106961130) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
PubChem CID106961130
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CCCNc1nnc(C(C)N)o1
InChIInChI=1S/C10H20N4O/c1-7(2)5-4-6-12-10-14-13-9(15-10)8(3)11/h7-8H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyRMDHPRJFWBRSLP-UHFFFAOYSA-N
XLogP1.94
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.94
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-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961131
5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106966116
5-(1-aminoethyl)-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961320
5-[1-(ethylamino)ethyl]-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 107819579
5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106962258
5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960512
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide
CID 106968768
5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819595
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343666
5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106413157
5-(chloromethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine
CID 106958282

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine (CID 106961130) is 5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine is CC(C)CCCNc1nnc(C(C)N)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RMDHPRJFWBRSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-7(2)5-4-6-12-10-14-13-9(15-10)8(3)11/h7-8H,4-6,11H2,1-3H3,(H,12,14).
What are the key properties of 5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 212.30 g/mol, XLogP of 1.94, 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-(4-methylpentyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).