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

C12H23N3O — CID 62137414

IUPAC2-methyl-N-[(5-pentyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
SMILESCCCCCc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C12H23N3O/c1-5-6-7-8-10-14-15-11(16-10)9-13-12(2,3)4/h13H,5-9H2,1-4H3
InChIKeyCCAMELYCMBRMOM-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.69
Rot. Bonds6

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

2-methyl-N-[(5-pentyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine (PubChem CID 62137414) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methyl-N-[(5-pentyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-pentyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
PubChem CID62137414
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-methyl-N-[(5-pentyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
SMILESCCCCCc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C12H23N3O/c1-5-6-7-8-10-14-15-11(16-10)9-13-12(2,3)4/h13H,5-9H2,1-4H3
InChIKeyCCAMELYCMBRMOM-UHFFFAOYSA-N
XLogP2.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.69
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 2-methyl-N-[(5-pentyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(5-pentyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine (CID 62137414) is 2-methyl-N-[(5-pentyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(5-pentyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(5-pentyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine is CCCCCc1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 2-methyl-N-[(5-pentyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
The InChIKey is CCAMELYCMBRMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-6-7-8-10-14-15-11(16-10)9-13-12(2,3)4/h13H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[(5-pentyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
2-methyl-N-[(5-pentyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-pentyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 62137414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).