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

C10H18N4O — CID 79078362

IUPACN,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCN(C)Cc1noc(C2(C)CCCN2)n1
InChIInChI=1S/C10H18N4O/c1-10(5-4-6-11-10)9-12-8(13-15-9)7-14(2)3/h11H,4-7H2,1-3H3
InChIKeyHPUYEXBNDITANL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.73
Rot. Bonds3

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

N,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 79078362) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID79078362
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCN(C)Cc1noc(C2(C)CCCN2)n1
InChIInChI=1S/C10H18N4O/c1-10(5-4-6-11-10)9-12-8(13-15-9)7-14(2)3/h11H,4-7H2,1-3H3
InChIKeyHPUYEXBNDITANL-UHFFFAOYSA-N
XLogP0.73
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 79078362) is N,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine is CN(C)Cc1noc(C2(C)CCCN2)n1.
What is the InChIKey of N,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is HPUYEXBNDITANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(5-4-6-11-10)9-12-8(13-15-9)7-14(2)3/h11H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
N,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 210.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 79078362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).