N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine

C10H18N4O — CID 106392900

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CCC(NCc2ncon2)C1
InChIInChI=1S/C10H18N4O/c1-8(2)14-4-3-9(6-14)11-5-10-12-7-15-13-10/h7-9,11H,3-6H2,1-2H3
InChIKeyONKKZEXVZVCVHG-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.64
Rot. Bonds4

About N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine

N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 106392900) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID106392900
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CCC(NCc2ncon2)C1
InChIInChI=1S/C10H18N4O/c1-8(2)14-4-3-9(6-14)11-5-10-12-7-15-13-10/h7-9,11H,3-6H2,1-2H3
InChIKeyONKKZEXVZVCVHG-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine
CID 103649301
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 115881375
N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63823265
1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393050
1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393094
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 106391885
N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 55225914
2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopentan-1-amine
CID 106392392
2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395
N-(3-methyl-2-propan-2-ylbutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 102904528
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 43648107

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine (CID 106392900) is N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1CCC(NCc2ncon2)C1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is ONKKZEXVZVCVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(2)14-4-3-9(6-14)11-5-10-12-7-15-13-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 210.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 106392900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).