N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine

C14H27N3O — CID 62162889

IUPACN-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
SMILESCCCCCCCc1nnc(C(C)NCCC)o1
InChIInChI=1S/C14H27N3O/c1-4-6-7-8-9-10-13-16-17-14(18-13)12(3)15-11-5-2/h12,15H,4-11H2,1-3H3
InChIKeyLXFBUYQSELAWJG-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.64
Rot. Bonds10

About N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine

N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine (PubChem CID 62162889) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
PubChem CID62162889
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
SMILESCCCCCCCc1nnc(C(C)NCCC)o1
InChIInChI=1S/C14H27N3O/c1-4-6-7-8-9-10-13-16-17-14(18-13)12(3)15-11-5-2/h12,15H,4-11H2,1-3H3
InChIKeyLXFBUYQSELAWJG-UHFFFAOYSA-N
XLogP3.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine (CID 62162889) is N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine is CCCCCCCc1nnc(C(C)NCCC)o1.
What is the InChIKey of N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is LXFBUYQSELAWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-6-7-8-9-10-13-16-17-14(18-13)12(3)15-11-5-2/h12,15H,4-11H2,1-3H3.
What are the key properties of N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62162889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).