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

C9H15N3O — CID 62139591

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCCCNCc1nnc(C2CC2)o1
InChIInChI=1S/C9H15N3O/c1-2-5-10-6-8-11-12-9(13-8)7-3-4-7/h7,10H,2-6H2,1H3
InChIKeyJNLQJMQDFYTMCO-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.45
Rot. Bonds5

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

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (PubChem CID 62139591) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
PubChem CID62139591
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCCCNCc1nnc(C2CC2)o1
InChIInChI=1S/C9H15N3O/c1-2-5-10-6-8-11-12-9(13-8)7-3-4-7/h7,10H,2-6H2,1H3
InChIKeyJNLQJMQDFYTMCO-UHFFFAOYSA-N
XLogP1.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.45
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-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 62588537
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine
CID 62136737
N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969389
N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960948
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969463
N-[[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967348
N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 112603853
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
CID 75481650
N-(cyclobutylmethyl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960675
N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62137386
N-(3-cyclopentylpropyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106015746
N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960664

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (CID 62139591) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is CCCNCc1nnc(C2CC2)o1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The InChIKey is JNLQJMQDFYTMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-5-10-6-8-11-12-9(13-8)7-3-4-7/h7,10H,2-6H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine has a molecular weight of 181.24 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62139591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).