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

C13H25N3O — CID 62137386

IUPACN-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCCCCCCCc1nnc(CNCCC)o1
InChIInChI=1S/C13H25N3O/c1-3-5-6-7-8-9-12-15-16-13(17-12)11-14-10-4-2/h14H,3-11H2,1-2H3
InChIKeyYHFNZXMWSPDPMD-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.08
Rot. Bonds10

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

N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (PubChem CID 62137386) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
PubChem CID62137386
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCCCCCCCc1nnc(CNCCC)o1
InChIInChI=1S/C13H25N3O/c1-3-5-6-7-8-9-12-15-16-13(17-12)11-14-10-4-2/h14H,3-11H2,1-2H3
InChIKeyYHFNZXMWSPDPMD-UHFFFAOYSA-N
XLogP3.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.08
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

2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
CID 62162723
N-[(5-nonyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 65427375
(5-octyl-1,3,4-oxadiazol-2-yl)methanamine
CID 65428930
2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole
CID 65448728
2-(3-bromopropyl)-5-tridecyl-1,3,4-oxadiazole
CID 86073528
2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65426417
3-(5-pentyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138927
N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62162889
2-chloro-5-heptyl-1,3,4-oxadiazole
CID 114770895
N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 103211969
1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine
CID 65427378
3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62589702

Frequently Asked Questions

What is the IUPAC name of N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (CID 62137386) is N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is CCCCCCCc1nnc(CNCCC)o1.
What is the InChIKey of N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The InChIKey is YHFNZXMWSPDPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-5-6-7-8-9-12-15-16-13(17-12)11-14-10-4-2/h14H,3-11H2,1-2H3.
What are the key properties of N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 3.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62137386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).