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

C12H21N3O — CID 103166387

IUPACN-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(CC2CCC2)o1
InChIInChI=1S/C12H21N3O/c1-3-7-13-9(2)12-15-14-11(16-12)8-10-5-4-6-10/h9-10,13H,3-8H2,1-2H3
InChIKeyRKKFFSYFWOGLAC-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.47
Rot. Bonds6

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

N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 103166387) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID103166387
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(CC2CCC2)o1
InChIInChI=1S/C12H21N3O/c1-3-7-13-9(2)12-15-14-11(16-12)8-10-5-4-6-10/h9-10,13H,3-8H2,1-2H3
InChIKeyRKKFFSYFWOGLAC-UHFFFAOYSA-N
XLogP2.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 103166387) is N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(CC2CCC2)o1.
What is the InChIKey of N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is RKKFFSYFWOGLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-7-13-9(2)12-15-14-11(16-12)8-10-5-4-6-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103166387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).