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

C10H19N3O — CID 107914431

IUPAC4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine
SMILESCc1nnc(CNCCCC(C)C)o1
InChIInChI=1S/C10H19N3O/c1-8(2)5-4-6-11-7-10-13-12-9(3)14-10/h8,11H,4-7H2,1-3H3
InChIKeyXUVTUKJRNHWDIF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.90
Rot. Bonds6

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

4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine (PubChem CID 107914431) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine
PubChem CID107914431
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine
SMILESCc1nnc(CNCCCC(C)C)o1
InChIInChI=1S/C10H19N3O/c1-8(2)5-4-6-11-7-10-13-12-9(3)14-10/h8,11H,4-7H2,1-3H3
InChIKeyXUVTUKJRNHWDIF-UHFFFAOYSA-N
XLogP1.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.90
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

3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol
CID 103604755
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 107914883
5-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]hexan-2-amine
CID 103604912
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
2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol
CID 106309920
4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine
CID 62579913
3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 106010660
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 107914821
5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine
CID 106963651
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine
CID 103605015
2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 70795304

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine (CID 107914431) is 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine is Cc1nnc(CNCCCC(C)C)o1.
What is the InChIKey of 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine?
The InChIKey is XUVTUKJRNHWDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)5-4-6-11-7-10-13-12-9(3)14-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine?
4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 107914431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).