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

C15H29N3O — CID 55043742

IUPACN-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine
SMILESCCCCC(CC)c1nnc(CCNC(C)(C)C)o1
InChIInChI=1S/C15H29N3O/c1-6-8-9-12(7-2)14-18-17-13(19-14)10-11-16-15(3,4)5/h12,16H,6-11H2,1-5H3
InChIKeyGRMPAGMZESGLRF-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.68
Rot. Bonds8

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

N-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 55043742) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine
PubChem CID55043742
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine
SMILESCCCCC(CC)c1nnc(CCNC(C)(C)C)o1
InChIInChI=1S/C15H29N3O/c1-6-8-9-12(7-2)14-18-17-13(19-14)10-11-16-15(3,4)5/h12,16H,6-11H2,1-5H3
InChIKeyGRMPAGMZESGLRF-UHFFFAOYSA-N
XLogP3.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine (CID 55043742) is N-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine is CCCCC(CC)c1nnc(CCNC(C)(C)C)o1.
What is the InChIKey of N-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is GRMPAGMZESGLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-8-9-12(7-2)14-18-17-13(19-14)10-11-16-15(3,4)5/h12,16H,6-11H2,1-5H3.
What are the key properties of N-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55043742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).