N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

C14H28N4O3 — CID 106964938

IUPACN-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCCCCOCCOC)o1
InChIInChI=1S/C14H28N4O3/c1-4-7-15-12(2)13-17-18-14(21-13)16-8-5-6-9-20-11-10-19-3/h12,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyAGLSSPDWBNINJJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.99
Rot. Bonds13

About N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106964938) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106964938
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC NameN-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCCCCOCCOC)o1
InChIInChI=1S/C14H28N4O3/c1-4-7-15-12(2)13-17-18-14(21-13)16-8-5-6-9-20-11-10-19-3/h12,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyAGLSSPDWBNINJJ-UHFFFAOYSA-N
XLogP1.99
TPSA81.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968919
5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106967102
5-[1-(propylamino)ethyl]-N-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106964046
N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106969227
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl carbamate
CID 106964003
5-(1-chloroethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106958884
5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106966116
N-(2-ethoxyethyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966005
5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963106
5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine
CID 106958258
5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970385
5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106963665

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106964938) is N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NCCCCOCCOC)o1.
What is the InChIKey of N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is AGLSSPDWBNINJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-4-7-15-12(2)13-17-18-14(21-13)16-8-5-6-9-20-11-10-19-3/h12,15H,4-11H2,1-3H3,(H,16,18).
What are the key properties of N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 300.40 g/mol, XLogP of 1.99, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).