N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine

C13H23N3O — CID 62137109

IUPACN-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine
SMILESCCC(CC)c1nnc(CCCNC2CC2)o1
InChIInChI=1S/C13H23N3O/c1-3-10(4-2)13-16-15-12(17-13)6-5-9-14-11-7-8-11/h10-11,14H,3-9H2,1-2H3
InChIKeyDOZXTPOHPYLWRU-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.66
Rot. Bonds8

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

N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine (PubChem CID 62137109) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine
PubChem CID62137109
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine
SMILESCCC(CC)c1nnc(CCCNC2CC2)o1
InChIInChI=1S/C13H23N3O/c1-3-10(4-2)13-16-15-12(17-13)6-5-9-14-11-7-8-11/h10-11,14H,3-9H2,1-2H3
InChIKeyDOZXTPOHPYLWRU-UHFFFAOYSA-N
XLogP2.66
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.66
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-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine
CID 62162767
2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole
CID 43513337
N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 63834383
N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 81326950
N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 107183220
N-[3-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139311
N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 106863632
N-[3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139301
N-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139131
N-[3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]propyl]-N'-cyclohexylpropane-1,3-diamine
CID 135231770
N-[3-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 115370031
N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 83150596

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine (CID 62137109) is N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine is CCC(CC)c1nnc(CCCNC2CC2)o1.
What is the InChIKey of N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine?
The InChIKey is DOZXTPOHPYLWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-10(4-2)13-16-15-12(17-13)6-5-9-14-11-7-8-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine?
N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine has a molecular weight of 237.35 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine is sourced from PubChem (CID 62137109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).