N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

C10H18N4O — CID 107914373

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCc1nnc(CNCC2CCN(C)C2)o1
InChIInChI=1S/C10H18N4O/c1-8-12-13-10(15-8)6-11-5-9-3-4-14(2)7-9/h9,11H,3-7H2,1-2H3
InChIKeyYMISYVMOPAHQGE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.42
Rot. Bonds4

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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 107914373) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID107914373
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCc1nnc(CNCC2CCN(C)C2)o1
InChIInChI=1S/C10H18N4O/c1-8-12-13-10(15-8)6-11-5-9-3-4-14(2)7-9/h9,11H,3-7H2,1-2H3
InChIKeyYMISYVMOPAHQGE-UHFFFAOYSA-N
XLogP0.42
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 107914913
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107914942
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855729
1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine
CID 103437599
N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855406
3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 106010660
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol
CID 66269246
1-(1-methylpyrrolidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 60855410
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine
CID 63249055
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol
CID 103604755

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (CID 107914373) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is Cc1nnc(CNCC2CCN(C)C2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is YMISYVMOPAHQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-12-13-10(15-8)6-11-5-9-3-4-14(2)7-9/h9,11H,3-7H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 210.28 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 107914373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).