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

C12H22N4O — CID 106965552

IUPACN-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(N2CC(C)CC2C)o1
InChIInChI=1S/C12H22N4O/c1-4-5-13-7-11-14-15-12(17-11)16-8-9(2)6-10(16)3/h9-10,13H,4-8H2,1-3H3
InChIKeyASMFOLPCFMPIOL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.80
Rot. Bonds5

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

N-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (PubChem CID 106965552) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
PubChem CID106965552
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(N2CC(C)CC2C)o1
InChIInChI=1S/C12H22N4O/c1-4-5-13-7-11-14-15-12(17-11)16-8-9(2)6-10(16)3/h9-10,13H,4-8H2,1-3H3
InChIKeyASMFOLPCFMPIOL-UHFFFAOYSA-N
XLogP1.80
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106965550
N-[[5-(2-methylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106969669
N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106965442
N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965446
N-[[5-(2-methyl-1,4-oxazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106961117
N-[[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967348
1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959475
N-[[5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967372
2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 106964218
2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962581
N-[[5-(3-phenylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106960239
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62139591

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (CID 106965552) is N-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is CCCNCc1nnc(N2CC(C)CC2C)o1.
What is the InChIKey of N-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is ASMFOLPCFMPIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-13-7-11-14-15-12(17-11)16-8-9(2)6-10(16)3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
N-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106965552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).