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

C12H21N3O — CID 106010660

IUPAC3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCc1nnc(CNCCCC2CCCC2)o1
InChIInChI=1S/C12H21N3O/c1-10-14-15-12(16-10)9-13-8-4-7-11-5-2-3-6-11/h11,13H,2-9H2,1H3
InChIKeyRHIJAWBUDIQHQF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.44
Rot. Bonds6

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

3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (PubChem CID 106010660) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
PubChem CID106010660
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCc1nnc(CNCCCC2CCCC2)o1
InChIInChI=1S/C12H21N3O/c1-10-14-15-12(16-10)9-13-8-4-7-11-5-2-3-6-11/h11,13H,2-9H2,1H3
InChIKeyRHIJAWBUDIQHQF-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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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Related Compounds

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 107914913
N-(3-cyclopentylpropyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106015746
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol
CID 103604755
2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole
CID 53017482
4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine
CID 107914431
3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 114136736
2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol
CID 106309920
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide
CID 106237182
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107914942
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 107914373
N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine
CID 126997706

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (CID 106010660) is 3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is Cc1nnc(CNCCCC2CCCC2)o1.
What is the InChIKey of 3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The InChIKey is RHIJAWBUDIQHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-14-15-12(16-10)9-13-8-4-7-11-5-2-3-6-11/h11,13H,2-9H2,1H3.
What are the key properties of 3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106010660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).