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

C12H23N3O — CID 103605015

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCc1nnc(C)o1
InChIInChI=1S/C12H23N3O/c1-4-5-6-7-8-10(2)13-9-12-15-14-11(3)16-12/h10,13H,4-9H2,1-3H3
InChIKeyOUQOWDDMWQQVTI-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.83
Rot. Bonds8

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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine (PubChem CID 103605015) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine
PubChem CID103605015
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCc1nnc(C)o1
InChIInChI=1S/C12H23N3O/c1-4-5-6-7-8-10(2)13-9-12-15-14-11(3)16-12/h10,13H,4-9H2,1-3H3
InChIKeyOUQOWDDMWQQVTI-UHFFFAOYSA-N
XLogP2.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.83
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

5-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]hexan-2-amine
CID 103604912
N-[(5-nonyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 65427375
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]heptan-2-amine
CID 61464621
N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexan-2-amine
CID 103096842
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
CID 107914968
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]heptan-2-amine
CID 115723271
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide
CID 103914210
N-heptan-2-ylheptan-1-amine
CID 43572726
N-butylundecan-2-amine
CID 90035852
N-octan-2-ylundecan-1-amine
CID 150124606
N-propylnonan-2-amine
CID 43129664

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine (CID 103605015) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine is CCCCCCC(C)NCc1nnc(C)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine?
The InChIKey is OUQOWDDMWQQVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-5-6-7-8-10(2)13-9-12-15-14-11(3)16-12/h10,13H,4-9H2,1-3H3.
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]octan-2-amine is sourced from PubChem (CID 103605015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).