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

C16H28N4O — CID 45171143

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine
SMILESCC(C)CN1CCC(CN(C)Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C16H28N4O/c1-12(2)8-20-7-6-13(10-20)9-19(3)11-15-17-16(18-21-15)14-4-5-14/h12-14H,4-11H2,1-3H3
InChIKeyUXZHYFYRKLVTIM-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.36
Rot. Bonds7

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine (PubChem CID 45171143) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine
PubChem CID45171143
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine
SMILESCC(C)CN1CCC(CN(C)Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C16H28N4O/c1-12(2)8-20-7-6-13(10-20)9-19(3)11-15-17-16(18-21-15)14-4-5-14/h12-14H,4-11H2,1-3H3
InChIKeyUXZHYFYRKLVTIM-UHFFFAOYSA-N
XLogP2.36
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717184
N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-(pyrimidin-5-ylmethyl)methanamine
CID 131895239
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine
CID 77083073
2-[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63276008
(2R)-1-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95341243
N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 131913600
2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol
CID 95344493
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-phenylmethanamine
CID 25453292
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925264
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine
CID 47027367
(1S)-2-[4-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95292947
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 55216293

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine (CID 45171143) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine is CC(C)CN1CCC(CN(C)Cc2nc(C3CC3)no2)C1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine?
The InChIKey is UXZHYFYRKLVTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)8-20-7-6-13(10-20)9-19(3)11-15-17-16(18-21-15)14-4-5-14/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine has a molecular weight of 292.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 45171143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).